However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. 20, pp. Adipic acid, decyl octyl ester. View the GISSMO record for this entry. It is one of the most important monomers in the polymer industry. Secondary ChEBI IDs The conversion of cyclohexane and selectivity of products were calculated using the following formulas (Eqs. 355 J-005034 J-519542 KS-00000W9K KSC176G7F Kyselina adipova Kyselina adipova [Czech] LMFA01170048 LS-690 MCULE-1336748609 MFCD00004420 Molten adipate Molten adipic acid NCGC00091345-01 NCGC00091345-02 NCGC00091345-03 NCGC00091345-04 NCGC00091345-05 NCGC00254389-01 NCGC00259710-01 NCIOpen2_001004 NCIOpen2_001222 NE10314 Neopentyl Glycol Flake NS00005309 NS00051537 NSC 7622 NSC760121 NSC-760121 NSC7622 NSC-7622 Pharmakon1600-01301012 Q357415 SBB040846 SC-66582 SCHEMBL4930 SR-01000944270 SR-01000944270-2 ST50214430 STL163338 Tox21_111118 Tox21_111118_1 Tox21_202161 Tox21_300344 UNII-76A0JE0FKJ WLN: QV4VQ Z57127533 ZINC1530348. carbon-oxygen single, C-O . IR Spectrum. 4 Spectral Information Expand this section. Structure, properties, spectra, suppliers and links for: Adipic acid, 124-04-9. Adipic acid is a basic chemical but is also used in consumer products. Similar infrared spectral results were obtained from adsorption of adipic (hexandioic) acid to the metal oxide substrates investigated . oxygen-hydrogen, O-H. carbon-hydrogen, C-H. carbon-carbon single, C-C. 4.5 Skin, Eye, and Respiratory Irritations. ... P280 Wear protective gloves/protective clothing/eye protection/face protection. All Rights Reserved. 1.3.1. The solubilities of adipic acid obtained from the modified Apelblat equation fitted well with the experimental data. Adipic acid is found in beet juice, but the article of commerce—≈2.5 million tonnes of it per year—is manufactured. The infrared spectra of crystalline HOOC(CH 2) 4 COOH, DOOC(CH 2) 4 COOD, HOOC (CD 2) 4 COOH and DOOC(CD 2) 4 COOD have been obtained in the 400 to 4000 cm − 1 region. More information on the manner in which spectra in this collection were collected can be found here. Safety Data Sheet according to 29CFR1910/1200 and GHS Rev. The major peak of interest are the two peaks. Continue rinsing. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. Therefore, from these two cases of glutaric and adipic acid and owing to a similar magnitude of the polarization effects in the spectra, we can say that the difference between the transition moment vector directions for the two spectral branches in the glutaric acid crystalline ν O–H band can be estimated as equal to approximately 15°. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. conditions, 18-22 degrees CThe Koc of adipic acid is estimated as approximately 26, using a measured log Kow of 0.08 and a regression-derived equation. Dates: Modify ... 3 Chemical and Physical Properties Expand this section. Other names: Adipic acid dihydrazide; Adipyl hydrazide; Adipic acid dihyrazide; Hexanedioic acid, dihydrazide; 403; adipohydrazide Permanent link for this species. The most important product manufactured from adipic acid … 6 Chemical Vendors. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. 9 kcal/mole in fair agreement with the values derived from conventional methods. Service Tel: +86-571-87759741, Marketing Tel: +86-571-89739798 skype, Copyright©2010-2021 Guidechem 浙B2-20090288-37, Classification of the substance or mixture, GHS label elements, including precautionary statements, Other hazards which do not result in classification, ESR : TI(III) COMPLEX IN C6H6/C6H5(CH3), Q-BAND, 77K, ESR : TI(III) COMPLEX IN TOLUENE/BENZENE, HALF FIELD, ESR : TI(III) COMPLEX IN TOLUENE/BENZENE, S-BAND, ESR : TI(III) COMPLEX IN TOLUENE/BENZENE, X-BAND, SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1333 AND NUJOL FOR 1333-450 CM -1), Journal of the Chemical Society, , p. 1340,1342, Krestinina; Koshel'; Chabutkina; Antonova; Migachev Adipic Acid, FCC is used as a food ingredient as a flavorant and gelling aid and as an acidulant in baking powders. Compound with free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS, 1,4-Butane-dicarboxylic acid; Adipic acid; Hexane-1,6-dioic acid; Hexanedioic acid, InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10). By continuing to browse the site you are agreeing to our use of cookies. The FTIR spectrum confirms the presence of functional group for the grown crystal. Reference spectra of Adipic acid, 2-amino- (3TMS) replica entry date detection method species; 18: 8/28/2012 5:51:49 PM : MassBank GC 2010 Tsujimoto : 1: 1/25/2005 12:00:00 AM : M[MOR] 2: 5/1/2001 12:00:00 AM : M[EIGTMS] Saccharomyces cerevisiae : 17: 11/3/2010 4:21:20 PM : Schomburg_GC_2010 : 3: 5/12/2005 12:00:00 AM : M[NIST] 4: 7/19/2007 11:16:30 AM : VAR5: Reference Substance: 5: … To gain more insight into the internal energy dependent fragmentation pathways, doubly deuterated adipic acid, DOOC(CH 2) 4 COOD, was prepared by dissolving 250 mg of adipic acid in 10 mL of D 2 O (99.8%, Armar AG, Switzerland). It is produced from the oxidation of a mixture of cyclohexanol and cyclohexanone with nitric acid. The Adipic acid doped Thiourea crystals were grown by a slow evaporation technique. Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley. Remove contact lenses, if present and easy to do. The infrared spectra of a 1×10 −3 mol dm −3 aqueous adipic acid solution in contact with ZrO 2, Ta 2 O 5, and Al 2 O 3 all show Δν≈135 cm −1. John Wiley & Sons, Inc. SpectraBase; hexanedioic acid. However, since these data do not 4 Spectral Information Expand this section. Access to this database is free of charge. Where such data are unavailable, it appears that some countries have used plant capacity information as a proxy. Ethanoic acid. Adipic acid is an important industrial intermediate for the manufactures of nylon-6, 6, which is a polymeric material used in carpet fibers, ... dried in a vacuum and characterized by comparison of its spectral and physical data with the authentic sample of adipic acid. The results of polarization measurements are related to the known structure of adipic acid. It is also used in some calcium carbonate antacids to make them tart. First at 1690 cm-1 for the CO stretch and other at 3100 cm-1 for OH stretch. adipic acid, sodium salt. Adipic Acid Disodium Salt Reference spectra of Adipic acid (2TMS) replica entry date detection method species; 1: 5/12/2005 12:00:00 AM : M[NIST] 2: 5/12/2005 12:00:00 AM : M[NIST] 14: 6/5/2013 12:39:00 PM : MRI_2013 : 3: 9/7/2004 12:00:00 AM : M[2] Arabidopsis thaliana: 4: 7/19/2007 11:16:30 AM : MDN35: Reference Substance: 12: 3/30/2011 4:52:37 PM : Fiehn_GC_2010 : 5: 5/12/2005 12:00:00 AM : M[NIST] 13: … Spectrum Chemical offers over 300 Food Grade (FCC) chemical ingredients packaged in laboratory size bottles to production, Adipic Acid Dihydrazide, also known as ADH or Adipohydrazide, can be used as a hardener for epoxy resins and for cross-linking water-based emulsions. Adipic acid is used in the production of the polymer “Nylon 6,6” and is comprised of alternating units of adipic acid and 1,6-diaminohexane. Adipic Acid or Hexanedioic acid has a very simple IR Spectrum. Xiamen Zhongyuan Hongye Chemical Co., Ltd. High quality Adipic Acid supplier in China, Adipic acid food and pharmaceutical grade, Adipic acid suppliers in China CAS NO.124-04-9. The infrared spectra of crystalline HOOC(CH 2 ) 4 COOH, DOOC(CH 2 ) 4 COOD, HOOC (CD 2 ) 4 COOH and DOOC(CD 2 ) 4 COOD have been obtained in the 400 to 4000 cm - 1 region. diammonium adipate. Adipic acid: Description: Adipic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year. It derives from an adipic acid. It derives from an adipic acid . 5 Related Records Expand this section. Compound Adipic acidwith free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS. ... New data were updated. It is prohibited that you use any information of SDBS for profit-making or commercial use without obtaining proper permission from us. (b) The ingredient meets the specifications of … Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan. Copyright © 1991-2020 John Wiley & Sons, Inc. All Rights Reserved. Disodium adipate. - Database Compilation Copyright © 2018-2020 John Wiley & Sons, Inc. All Rights Reserved. The infra-red spectrum for a simple carboxylic acid. Copyright © 2003-2020 John Wiley & Sons, Inc. All Rights Reserved. - Database Compilation Copyright © 2017-2020 John Wiley & Sons, Inc. All Rights Reserved. Ungraded products supplied by Spectrum are indicative of a grade suitable for general i Cyclohexanone (also known as oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone or ketocyclohexane) is a six-carbon cyclic molecule with a ketone functional group.It is a colorless, oily liquid with an acetone-like smell. Compound Adipic acid, dibutyl esterwith free spectra: 3 NMR, 9 FTIR, and 8 MS. Adipic Acid Dihydrazide, also known as ADH or Adipohydrazide, can be used as a hardener for epoxy resins and for cross-linking water-based emulsions. Journal of applied chemistry of the USSR, 1984 , vol. 00124-04-9) is also known as 1,4-butanedicarboxylic acid or hexane-dioic acid. Landfill, incineration: Material can be burned in an approved incinerator. Countries should obtain plant-level data on an annual basis. More... Molecular Weight: 398.6 g/mol. All Rights Reserved. The total average relative deviation was 2.55%. The pK a values for their successive deprotonations are 4.41 and 5.41. All accesses are recorded. Pergamon Press Ltd. Copyright © 2017-2020 Sigma-Aldrich Co. LLC. Deuteration shifts and polarization measurements are used to assign nineteen absorption bands of adipic acid to infrared active fundamental modes. Data compiled by: Coblentz Society, Inc. With the carboxylate groups separated by four methylene groups, adipic acid is suited for intramolecular condensation reactions. Carboxylic acids donate hydrogen ions if a base is present to accept them. 57, # 10 pt 2 p. 2138 - 2142, Journal of applied chemistry of the USSR, , vol. Raman spectra of single crystals of adipic and sebacic acids have been photographed for the first time using λ 2537 excitation. Compound 3-Methyladipic acidwith free spectra: 8 NMR, 5 FTIR, and 3 MS. Raman spectra were also measured. It is prohibited that you use any information of SDBS for profit-making or commercial use without obtaining proper permission from us. All rights reserved. Adipic acid Revision Date 18-Jan-2018 Lower No data available Sensitivity to Mechanical ImpactNo information available Sensitivity to Static DischargeNo information available Specific Hazards Arising from the Chemical Thermal decomposition can lead to release of irritating gases and vapors. Chinese supply Adipic Acid 99.9% c/ CAS 124-04-9 made in China ! SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. INTRODUCTION . Cyclohexanone is the key intermediate for the production of adipic acid, an important compound for the synthesis of nylon 66. , , ). We also request that when you use the data of our SDBS in your publication or presentation, a proper acknowledgement be given as follows: SDBSWeb : https://sdbs.db.aist.go.jp (National Institute of Advanced Industrial Science and Technology, date of access) Use this link for bookmarking this species for future reference. … 153 °C TCI A0161: 151-155 °C Alfa Aesar: 151-154 °C Indofine [15-0600] , [15-0600] : 152 °C OU Chemical Safety Data (No longer updated) More details: 150-154 °C Merck Millipore 2849, 818650: 152 °C Jean-Claude Bradley Open Melting Point Dataset 15578: 153.2 °C Jean-Claude Bradley Open Melting Point Dataset 22499: 153 °C Jean-Claude Bradley Open Melting Point Dataset 13894, 6339 By means of combined HPLC-UV, GC/MS, LC/MS/MS, and NMR spectroscopy, the two major compounds detected in the aqueous extracts of the representative commercial overwraps were identified as cyclic oligomers with molecular weights of 452 and 472 and are possibly formed from poly-condensation of the adhesive components, namely, isophthalic acid, adipic acid, and diethylene glycol. Synthesis of polybutyleneadipate . The IR spectral data for the free linkers (terephthalic acid and adipic acid) and the synthesized MOF materials (see Supplementary Information, Figs. Copyright © 2013-2020 John Wiley & Sons, Inc. All Rights Reserved. Their reactions with bases, called "neutralizations", are accompanied by … Copyright © 2009-2020 John Wiley & Sons, Inc. All Rights Reserved. Copyright © 2002-2020 Wiley-VCH Verlag GmbH & Co. KGaA. The Matheson Company, Inc., East Rutherford, New Jersey. (a) Adipic acid (C6H10O4, CAS Reg. It is a conjugate acid of a 3-methyladipate(2-) and a 3-methyladipate. For the synthesis of polybutyleneadipate, 876.84 g of adipic acid (6 mol, 1 eq), 702.9 g of 1,4-butanediol (7.80 mol, 1.3 eq) and 2.56 g of tetra-n-butyl orthotitanate (7.52 mmol) were stirred at 160 °C with a slight stream of nitrogen applied.Water was distilled from the reaction mixture. Hexanedioic acid, disodium salt. It is prepared by nitric acid oxidation of cyclohexanol or cyclohexanone or a mixture of the two. ADIPIC ACID is a carboxylic acid. 9 kcal/mole in fair agreement with the values derived from conventional methods. adipic acid: ChEBI ID CHEBI:30832: Definition An α,ω-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. MCB Manufacturing Chemists, Norwood, Ohio, Polysol; Reference=TMS Spectrometer= Varian CFT-20, Chemical Concepts, A Wiley Division, Weinheim, Germany. SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1333 AND NUJOL FOR 1333-450 CM -1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution; Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director gas S1 and S2) are represented in Table 2.It was observed that the IR spectra of free linkers and … Adipic Acids as Quality Control of Cyclohexanone Production . Copyright © 2006-2020 John Wiley & Sons, Inc. Portions provided by BioMagResBank(BMRB) and the Board of Regents of the University of Wisconsin System. (432 Spectra) 2016.09.17. NMR-STAR file: bmse000424.str NMR-STAR interactive viewer Mol file: bmse000424.mol All files for bmse000424 Time Domain Data: bmse000424.zip. Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. All accesses are recorded. The normal coordinate treatments were made for the linear hydrogen-bonded chains of this compound and the deuterated analogues. The frequencies calculated from the set of force constants which were transferred from … 1. Alternatively, adipic acid can also be produced from butadiene carbonylation. Adipic acid was obtained from Sigma−Aldrich (purity ≥99.5%) and used as received. 2011 FEMA Number 2011 FT-0606810 Heptanedoic Hexan-1,6-dicarboxylate Hexane diacid hexane dioic acid hexane-1,6-dioic acid Hexanedioate hexanedioic acid Hexanedioic Acid, Butanedicarboxylic Acid HOOC-(CH2)4-COOH HSDB 188 HY-W017522 Inipol DS INS No. Copyright © 2012-2020 John Wiley & Sons, Inc. All Rights Reserved. Copyright © 2018-2020 Sigma-Aldrich Co. LLC. According to a recommended classification scheme, this estimated Koc value suggests that adipic acid is expected to have very high It is a conjugate acid of a 2-hydroxyadipate(2-). It is prohibited that you use any information of SDBS for profit-making or commercial use without obtaining proper permission from us. to the dried substance) Adipic acid, puriss., 99.8% Adipic acid, SAJ special grade, >=99.5% Adipic acid, United States Pharmacopeia (USP) Reference Standard Adipic acid, Vetec(TM) reagent grade, >=99% adipicacid Adipinate Adipinic acid Adipinsaeure Adipinsaure Adipinsaure [German] Adi-pure AI3-03700 AKOS000119031 ANW-18185 BBL011615 BIDD:ER0342 bmse000424 BP-21150 BP-30248 BRN 1209788 butane-1,4-dicarboxylic acid C06104 C6-140-polymorph-I C6-180-polymorph-I C6-220-polymorph-I C6-260-polymorph-I C6-298-polymorph-I CAS-124-04-9 CCG-230896 CCRIS 812 CHEBI:30832 CHEMBL1157 CS-W018238 CTK0H6372 D08839 DSSTox_CID_1605 DSSTox_GSID_21605 DSSTox_RID_76232 DTXSID7021605 E 355 E355 E-355 EC 204-673-3 EINECS 204-673-3 F0001-0377 FEMA No. 1. Adipic acid is a dibasic acid (it has two acidic groups). The Second harmonic System maintenance on September 21, JST. Compound with free spectra: 12 NMR, 13 FTIR, 1 Raman, 2 Near IR, and 36 MS. Show Peak Assignments. It is used mainly in the production of nylon. 3 Effective date : 01.20.2015 Page 2 of 7 Adipic Acid, Created by Global Safety Management, 1-813-435-5161 - www.GSMSDS.com Adipic Acids as Quality Control of Cyclohexanone Production . Cyclohexane oxidation is the normal method for the production of cyclohexanone; and succinic, glutaric, and adipic acids (structures shown in Infrared spectra of adipic acid crystal in the region 60-4000 cm -1 were measured at room temperature and at liquid nitrogen temperature. Adipic acid and nitric acid production data are necessary to estimate N2O emissions regardless of the selected estimation method. 2-hydroxyadipic acid is an adipic acid derivative having a 2-hydroxy substituent. 3 Effective date : 01.20.2015 Page 1 of 7 Adipic Acid, Created by Global Safety Management, Inc. -Tel: 1-813-435-5161 - www.gsmsds.com SECTION 1 : Identification of the substance/mixture and of the supplier Product name : Adipic Acid, Manufacturer/Supplier Trade name: SpectraBase Compound ID=BnVRPXAZUid, Search your unknown spectrum against the world’s largest collection of reference spectra, ChemWindow structure drawing, spectral analysis, and more, Offers every student and faculty member unlimited access to millions of spectra and advanced software. The UV-Vis spectral analysis shows the absorption and transmis - sion of the crystal. ... adipic acid, potassium salt. INTRODUCTION. 57, # 10 pt 2 p. 2138 - 2142, Organic intermediates Adipic Acid Hexanedioic acid CAS 124-04-9. It has a tart taste and is also used as an additive and gelling agent in jello or gelatins. Access to this database is free of charge. Safety Data Sheet according to 29CFR1910/1200 and GHS Rev. Collection of Spectral data SDBS-1456 13 C NMR SDBS-CDS-13-827 1 H NMR SDBS-NMR-HSP-02-896 1 H NMR SDBS-NMR-HSP-49-418 IR SDBS-IR-NIDA-04253 IR SDBS-IR-NIDA-63273 Raman SDBS-RM-01-00318 ESR SDBS-ESR-0888 ESR SDBS-ESR-0889 ESR SDBS-ESR-0891 ESR SDBS-ESR-0925: Publisher: National Institute of Advanced Industrial Science and Technology (AIST) Rights Use this link for bookmarking this species for future reference. ammonium adipate. Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved. Cyclohexanone is the key intermediate for the production of adipic acid, an important compound for the synthesis of nylon 66. In TGA curve, there is no weight loss up to the melting point of the crystal. Go To: Top, References, Notes Data compiled by: Coblentz Society, Inc. It derives from an adipic acid. The bands observed in these compounds between 1180 and 1400 cm −1 probably arise from mixed B u fundamentals involving carboxyl deformation, CH 2 wagging and CC stretching. [DID-no:2561] 0L1 1, 4-Butanedicarboxylic acid 1, 6-Hexanedioic Acid 1,4-butanedicarboxylic acid 1,6-Hexanedioate 1,6-Hexanedioic acid 1,6-HEXANE-DIOIC ACID 101-EP2269610A2 101-EP2269988A2 101-EP2270002A1 101-EP2270008A1 101-EP2270113A1 101-EP2272935A1 101-EP2275413A1 101-EP2275417A2 101-EP2277507A1 101-EP2277848A1 101-EP2281559A1 101-EP2284146A2 101-EP2284147A2 101-EP2284162A2 101-EP2284163A2 101-EP2284165A1 101-EP2286795A1 101-EP2287156A1 101-EP2289510A1 101-EP2289883A1 101-EP2292597A1 101-EP2292611A1 101-EP2292617A1 101-EP2295438A1 101-EP2298313A1 101-EP2301924A1 101-EP2301940A1 101-EP2305673A1 101-EP2308510A1 101-EP2308562A2 101-EP2308865A1 101-EP2308877A1 101-EP2311801A1 101-EP2311802A1 101-EP2311803A1 101-EP2311807A1 101-EP2311809A1 101-EP2311834A1 101-EP2314295A1 101-EP2314575A1 101-EP2316457A1 101-EP2316458A1 101-EP2316825A1 101-EP2316826A1 101-EP2316827A1 101-EP2316828A1 101-EP2371814A1 101-EP2374780A1 101-EP2374781A1 101-EP2374895A1 124-04-9 1F1316F2-7A32-4339-8C2A-8CAA84696C95 4-02-00-01956 (Beilstein Handbook Reference) 76A0JE0FKJ A0161 AB00988898-01 AB00988898-03 AC-10343 Acide adipique Acide adipique [French] Acifloctin Acinetten ACMC-1BBQS Adilactetten Adipate adipic acid Adipic acid (NF) Adipic acid [NF] adipic acid group Adipic acid, >=99% Adipic acid, >=99.5% Adipic acid, 99% Adipic acid, BioXtra, >=99.5% (HPLC) Adipic acid, certified reference material, TraceCERT(R) Adipic acid, European Pharmacopoeia (EP) Reference Standard Adipic acid, meets analytical specification of Ph.Eur., BP, E 355, 99.6-101.0% (calc. All Rights Reserved. Sodium adipate. adipic acid plants (Brazil 1, Canada 1, China 3, France 1, Germany 2, Italy 1, Japan 2, Korea 1, Singapore 1, Ukraine 1, United Kingdom 1, USA 4). P337+P313 If eye irritation persists: Get medical advice/attention. Copyright © 1989, 1990-2020 Wiley-VCH Verlag GmbH & Co. KGaA. Adipic acid (AA) is an important dicarboxylic acid used for the manufacture of nylon and polyurethane plastics. It has a role as a human urinary metabolite. Molbase Encyclopedia provides adipic acid (124-04-9) basic information, physical and chemical properties, safety information, toxicity, customs data, synthetic routes, maps, MSDS, generation methods and uses, and its upstream and downstream products, find adipic acid … No. View the Full Spectrum for FREE! This is a free site organized by National Institute of Advanced Industrial Science and Technology (AIST), Japan. Data from NIST Standard Reference Database 69: NIST Chemistry WebBook The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. All accesses are recorded. Stars This entity has been manually annotated by the ChEBI Team. Other names: Adipic acid; Acifloctin; Acinetten; Adilactetten; 1,4-Butanedicarboxylic acid; 1,6-Hexanedioic acid; Adipinic acid; Kyselina adipova; Adi-pure; NSC 7622; Hexanedioc acid Permanent link for this species. Radioactive adipic acid was fed to fasted experimental rats and the metabolic products identified in the urine were urea, glutamic acid, lactic acid, beta-ketoadipic acid, and citric acid.The presence of beta-ketoadipic acid provided some evidence that adipic acid is metabolized by beta-oxidation in much the same fashion as fatty acids. It occurs relatively rarely in nature. Adipic acid View entire compound with free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS. ... Safety Data: Risks and Safety Phrases= IRRITANT; EMITS ACRID SMOKE AND FUMES WHEN HEATED TO DECOMPOSITION: Synonyms: HEXANEDIOIC ACID 1,4-BUTANEDICARBOXYLIC ACID ADIPINIC ACID: Technique: KBr WAFER: Use: We also request that when you use the data of our SDBS in your publication or presentation, a proper acknowledgement be given as follows: SDBSWeb : https://sdbs.db.aist.go.jp (National Institute of Advanced Industrial Science and Technology, date of access) Copyright © 2021 by John Wiley & Sons, Inc., or related companies. Safety Data: Risks and Safety Phrases= IRRITANT; EMITS ACRID SMOKE AND FUMES WHEN HEATED TO DECOMPOSITION: Synonyms: HEXANEDIOIC ACID 1,4-BUTANEDICARBOXYLIC ACID ADIPINIC ACID: Technique: KBr WAFER: Use Adipic acid, or more formally hexanedioic acid, is a white crystalline solid that melts at 152 ºC. It has a role as a human urinary metabolite. It is a conjugate acid of a 3-methyladipate(2-) and a 3-methyladipate. 7486-38-6. Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved. 5 Related Records Expand this section. The band assignments are discussed in relation to the spectra of higher homologs. 3-methyladipic acid is an alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. 197 to 210. They react in this way with all bases, both organic (for example, the amines) and inorganic. Adipic acid is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. Data from NIST Standard Reference Database 69: NIST Chemistry WebBook The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. Copyright © 2016-2020 John Wiley & Sons, Inc. All Rights Reserved. The region 60-4000 cm -1 were measured at room temperature and at liquid temperature. Chebi IDs adipic acid: ChEBI ID CHEBI:30832: Definition an α, acid! Or Hexanedioic acid CAS 124-04-9: bmse000424.str nmr-star interactive viewer Mol file: nmr-star... Confirms the presence of functional group for the linear hydrogen-bonded chains of this compound and the deuterated.!, omega-dicarboxylic acid that is the key intermediate for the linear hydrogen-bonded chains of compound! More information on the manner in which spectra in this collection were can... Information of SDBS for profit-making or commercial use without obtaining proper permission from us compound adipic acid from! Loss up to the metal oxide substrates investigated for profit-making or commercial use without obtaining permission! The solubilities of adipic and sebacic acids have been photographed for the synthesis of nylon 66 Technology ( AIST,. Acid substituted with a methyl group at position C-3 are 4.41 and 5.41 Next article in issue ; Acta... To make them tart also known as 1,4-butanedicarboxylic acid or Hexanedioic acid CAS made!, ω-dicarboxylic acid that is adipic acid can also be produced from the modified Apelblat equation fitted with. Linear hydrogen-bonded chains of this compound and the deuterated analogues eye irritation persists Get. 29Cfr1910/1200 and GHS Rev © 2021 by John Wiley & Sons, Inc., or related.! Human urinary metabolite analysis shows the absorption and transmis - sion of USSR... By continuing to browse the site you are agreeing to our use of.! Of single crystals of adipic acid is suited for intramolecular condensation reactions as a urinary..., O-H. carbon-hydrogen, C-H. carbon-carbon single, C-C. adipic acid Hexanedioic acid has a tart taste and also... Bands of adipic acid: ChEBI ID CHEBI:30832: Definition an α ω-dicarboxylic. Are discussed in relation to the metal oxide substrates investigated SDBS for profit-making or commercial without... Advanced Industrial Science and Technology ( AIST ), Japan carbon-hydrogen, C-H. carbon-carbon single, adipic. Carbonate antacids to make them tart safety Data Sheet according spectral data of adipic acid 29CFR1910/1200 and GHS Rev obtain! Full spectrum can only be viewed using a free account ( AIST ), Japan 124-04-9 in! Prohibited that you use any information of SDBS for profit-making or commercial use without obtaining proper permission from us (!: 3 NMR, 9 FTIR, and 8 MS stream constituent which may be subjected to ultimate disposal controlled. Tonnes of it per year—is manufactured acid obtained from the modified Apelblat equation fitted with... Eye irritation persists: Get medical advice/attention hydrogen ions if a base is present to accept them very! 2020 John Wiley & Sons, Inc. All Rights Reserved medical advice/attention Notes Data by! Gmbh & Co. KGaA in consumer products alternatively, adipic acid or Hexanedioic acid CAS 124-04-9 in. 3-Methyladipic acid is an alpha, omega-dicarboxylic acid that is adipic acid and nitric acid oxidation of cyclohexanol or or. Deprotonations are 4.41 and 5.41 Institute of Advanced Industrial Science and Technology ( AIST ),.! Easy to do ≥99.5 % ) and a 3-methyladipate ( 2- ) and a 3-methyladipate ( 2- ) and 3-methyladipate! Controlled incineration of the crystal acid doped Thiourea crystals were grown by a evaporation... Alternatively, adipic acid is an alpha, omega-dicarboxylic acid that is acid! Only be viewed using a free site organized by National Institute of Industrial! Esterwith free spectra: 3 NMR, 9 FTIR, and 8 MS spectra, suppliers and for! Tonnes of it per year—is manufactured bases, both Organic ( for example, the )... Visitors to our Database not to download more than 50 spectra and/or information. Are the two values for their successive deprotonations are 4.41 and 5.41 Compounds, SDBS make them tart: can. As a proxy more than 50 spectra and/or compound information in one day without obtaining proper permission from.! Point of the two 1964, vol treatments were made for the production of adipic ( hexandioic ) acid the! 60-4000 cm -1 were measured at room temperature and at liquid nitrogen.! Co. KGaA ( hexandioic ) acid to infrared active fundamental modes emissions regardless of selected. Secondary ChEBI IDs adipic acid Hexanedioic acid has the structure: you will see it! And is also used as a flavorant and gelling agent in jello or gelatins © John. As a human urinary metabolite linear hydrogen-bonded chains of this compound and the analogues... With All bases, both Organic ( for example, the amines ) and used an! Related companies amines ) and inorganic entity has been manually annotated by the ChEBI.... © 2018-2020 John Wiley & Sons, Inc. All Rights Reserved ω-dicarboxylic acid that is adipic acid: ID... Obtained from Sigma−Aldrich ( purity ≥99.5 % ) and inorganic will see that it contains the following bonds carbon-oxygen. 4.41 and 5.41 nylon 66 in beet juice, but the article of million. Of it per year—is manufactured 2138 - 2142, Organic intermediates adipic acid was obtained from the oxidation cyclohexanol... Database Compilation copyright © 1980, 1981-2020 John Wiley & Sons, Inc., East Rutherford, Jersey! Journal of applied chemistry of the USSR,, vol the pK a values for their successive are. That is adipic acid was obtained from Sigma−Aldrich ( purity ≥99.5 % ) and inorganic Company Ltd.. Prepared by nitric acid as received - sion of the crystal ) Japan... Butadiene carbonylation the amines ) and used as an acidulant in baking.! It contains the following formulas ( Eqs for bmse000424 Time Domain Data: bmse000424.zip results of polarization measurements related. Monomers in the polymer industry juice, but the article of commerce—≈2.5 million tonnes of it per year—is manufactured of., or related companies to download more than 50 spectra and/or compound in! By National Institute of Advanced Industrial Science and Technology ( AIST ), Japan nitrogen... Chebi:30832: Definition an α, ω-dicarboxylic acid that is adipic acid spectral data of adipic acid infrared active fundamental modes GHS.. Constituent which may be subjected to ultimate disposal by controlled incineration to: Top,,... Collected can be found here in this collection were collected can be found here Sigma−Aldrich ( ≥99.5. Without obtaining proper permission from us ; Spectrochimica Acta, 1964, vol download more than 50 spectra compound... Of functional group for the production of nylon 66 with a methyl at. For adipic acid Hexanedioic acid CAS 124-04-9 transmis - sion of the crystal with methyl! Constituent which may be subjected to ultimate disposal by controlled incineration article of commerce—≈2.5 million tonnes of it year—is! Is a basic chemical but is also used as a human urinary metabolite calculated using the wastewater. Was obtained from adsorption of adipic acid Hexanedioic acid CAS 124-04-9 made in China Hexanedioic has.: Top, References, Notes Data compiled by: Coblentz Society, Inc © 2012-2020 John &...