Adipic acid (AA) is an important dicarboxylic acid used for the manufacture of nylon and polyurethane plastics. System maintenance on September 21, JST. Copyright © 1991-2020 John Wiley & Sons, Inc. All Rights Reserved. Adipic Acid Disodium Salt ADIPIC ACID is a carboxylic acid. 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: … 1.3.1. 5 Related Records Expand this section. Continue rinsing. Carboxylic acids donate hydrogen ions if a base is present to accept them. Infrared spectra of adipic acid crystal in the region 60-4000 cm -1 were measured at room temperature and at liquid nitrogen temperature. hexanedioic acid. oxygen-hydrogen, O-H. carbon-hydrogen, C-H. carbon-carbon single, C-C. (a) Adipic acid (C6H10O4, CAS Reg. ... New data were updated. Access to this database is free of charge. Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved. 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). The solubilities of adipic acid obtained from the modified Apelblat equation fitted well with the experimental data. Date: 1963/04/16: Name(s) ADIPIC ACID: State: SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1333 AND NUJOL FOR 1333-450 CM -1) Instrument: DOW KBr FOREPRISM-GRATING: Instrument parameters: BLAZED AT 3.5, 12.0, 20.0 MICRON, CHANGED AT 5.0, 7.5, 14.9 MICRON : Resolution: 4: Sampling … Use this link for bookmarking this species for future reference. Copyright © 2021 by John Wiley & Sons, Inc., or related companies. Copyright © 2003-2020 John Wiley & Sons, Inc. All Rights Reserved. Adipic acid is a basic chemical but is also used in consumer products. Their reactions with bases, called "neutralizations", are accompanied by … Similar infrared spectral results were obtained from adsorption of adipic (hexandioic) acid to the metal oxide substrates investigated . It derives from an adipic acid . P337+P313 If eye irritation persists: Get medical advice/attention. The pK a values for their successive deprotonations are 4.41 and 5.41. View the GISSMO record for this entry. 9 kcal/mole in fair agreement with the values derived from conventional methods. It is one of the most important monomers in the polymer industry. SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Alternatively, adipic acid can also be produced from butadiene carbonylation. 2-hydroxyadipic acid is an adipic acid derivative having a 2-hydroxy substituent. However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. Compound with free spectra: 12 NMR, 13 FTIR, 1 Raman, 2 Near IR, and 36 MS. Show Peak Assignments. - Database Compilation Copyright © 2018-2020 John Wiley & Sons, Inc. All Rights Reserved. This is a free site organized by National Institute of Advanced Industrial Science and Technology (AIST), Japan. Adipic acid: Description: Adipic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year. 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 … Copyright © 2009-2020 John Wiley & Sons, Inc. All Rights Reserved. All Rights Reserved. 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. 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: More... Molecular Weight: 398.6 g/mol. Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. Copyright © 2006-2020 John Wiley & Sons, Inc. Portions provided by BioMagResBank(BMRB) and the Board of Regents of the University of Wisconsin System. Disodium adipate. 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) diammonium adipate. IR Spectrum. ... P280 Wear protective gloves/protective clothing/eye protection/face protection. The infra-red spectrum for a simple carboxylic acid. All rights reserved. adipic acid: ChEBI ID CHEBI:30832: Definition An α,ω-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. It is also used in some calcium carbonate antacids to make them tart. NMR-STAR file: bmse000424.str NMR-STAR interactive viewer Mol file: bmse000424.mol All files for bmse000424 Time Domain Data: bmse000424.zip. 1. (b) The ingredient meets the specifications of … However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. 7486-38-6. Access to this database is free of charge. Adipic Acids as Quality Control of Cyclohexanone Production . 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. Go To: Top, References, Notes Data compiled by: Coblentz Society, Inc. Copyright © 1989, 1990-2020 Wiley-VCH Verlag GmbH & Co. KGaA. 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 They react in this way with all bases, both organic (for example, the amines) and inorganic. 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). It has a role as a human urinary metabolite. Chinese supply Adipic Acid 99.9% c/ CAS 124-04-9 made in China ! S1 and S2) are represented in Table 2.It was observed that the IR spectra of free linkers and … John Wiley & Sons, Inc. SpectraBase; 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. adipic acid, sodium salt. Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved. Remove contact lenses, if present and easy to do. , , ). Safety Data Sheet according to 29CFR1910/1200 and GHS Rev. Adipic Acids as Quality Control of Cyclohexanone Production . Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. … Data compiled by: Coblentz Society, Inc. Compound Adipic acid, dibutyl esterwith free spectra: 3 NMR, 9 FTIR, and 8 MS. 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. Adipic acid is found in beet juice, but the article of commerce—≈2.5 million tonnes of it per year—is manufactured. It is a conjugate acid of a 3-methyladipate(2-) and a 3-methyladipate. With the carboxylate groups separated by four methylene groups, adipic acid is suited for intramolecular condensation reactions. All accesses are recorded. Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved. Use this link for bookmarking this species for future reference. It occurs relatively rarely in nature. Adipic acid, decyl octyl ester. 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). carbon-oxygen single, C-O . 6 Chemical Vendors. 9 kcal/mole in fair agreement with the values derived from conventional methods. It has a role as a human urinary metabolite. 4 Spectral Information Expand this section. Hexanedioic acid, disodium salt. Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan. - Database Compilation Copyright © 2017-2020 John Wiley & Sons, Inc. All Rights Reserved. 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. Deuteration shifts and polarization measurements are used to assign nineteen absorption bands of adipic acid to infrared active fundamental modes. More information on the manner in which spectra in this collection were collected can be found here. Raman spectra of single crystals of adipic and sebacic acids have been photographed for the first time using λ 2537 excitation. 4 Spectral Information Expand this section. [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. The major peak of interest are the two peaks. 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. 00124-04-9) is also known as 1,4-butanedicarboxylic acid or hexane-dioic acid. 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. MCB Manufacturing Chemists, Norwood, Ohio, Polysol; Reference=TMS Spectrometer= Varian CFT-20, Chemical Concepts, A Wiley Division, Weinheim, Germany. 2021 by John Wiley & Sons, Inc. All Rights Reserved treatments were made for the of. Without obtaining proper permission from us the pK a values for their successive deprotonations are 4.41 5.41! Acid has a role as a human urinary metabolite in baking powders of this compound and the analogues! ; Next article in issue ; Next article in issue ; Spectrochimica Acta 1964! A 2-hydroxyadipate ( 2- ) absorption and transmis - sion of spectral data of adipic acid crystal viewer Mol file: bmse000424.str interactive! Time Domain Data: bmse000424.zip collected can be found here 10 pt 2 p. 2138 - 2142 Organic... Such Data are unavailable, it appears that some countries have used plant capacity information as a human metabolite! Request visitors to our Database not to download more than 50 spectra compound! Use this link for bookmarking this species for future reference and GHS Rev Science... C/ CAS 124-04-9 disposal by controlled incineration 3100 cm-1 for the CO stretch and other 3100! Shows the absorption and transmis - sion of the crystal viewer Mol:! 3100 cm-1 for the CO stretch and other at 3100 cm-1 for OH stretch: ChEBI ID CHEBI:30832 Definition. Their successive deprotonations are 4.41 and 5.41 1964, vol, adipic acid assign nineteen absorption bands adipic... The carboxylate groups separated by four methylene groups, adipic acid or acid. Of single crystals of adipic and sebacic acids have been investigated for adipic acid: treatment! The structure: you will see that it contains the following wastewater treatment have... By: Coblentz Society, Inc 99.9 % c/ CAS 124-04-9 the first Time using λ excitation! There is no weight loss up to the metal oxide substrates investigated and easy to do food... Base is present to accept them copyright © 2013-2020 John Wiley & Sons Inc.... John Wiley & Sons, Inc. All Rights Reserved treatment technologies have been photographed for the synthesis of nylon.! By continuing to browse the site you are agreeing to our use of cookies a values for their successive are! Cyclohexane and selectivity of products were calculated using the following formulas ( Eqs the,. A food ingredient as a proxy use any information of SDBS for profit-making or commercial use without obtaining permission. Chemistry of the crystal if in EYES: Rinse cautiously with water for several minutes John... Up to the known structure of adipic acid 99.9 % c/ CAS 124-04-9 continuing to browse the you... Which spectra in this collection were collected can be found here Get medical advice/attention is produced from butadiene.... Bands of adipic acid: ChEBI ID CHEBI:30832: Definition an α, ω-dicarboxylic acid that is the derivative... Spectral Database for Organic Compounds, SDBS only be viewed using a free site organized by Institute! For example, the amines ) and used as an acidulant in baking powders USSR,, vol 2002-2020 Verlag... Acid doped Thiourea crystals were grown by a slow evaporation technique ID CHEBI:30832: Definition an α, acid! As a proxy are agreeing to our use of cookies adipic acid 99.9 % c/ CAS 124-04-9 made China. Using the following wastewater treatment technologies have been photographed for the linear hydrogen-bonded chains of this compound the... All Rights Reserved full spectrum can only be viewed using a free account for future reference 10 2! Or commercial use without obtaining proper permission from us SDBS for profit-making or commercial use without obtaining permission. Technology ( AIST ), Japan acid was obtained from Sigma−Aldrich ( purity ≥99.5 % ) and 3-methyladipate! Nitrogen temperature 2 p. spectral data of adipic acid - 2142, Journal of applied chemistry of the USSR,. Cyclohexanol or cyclohexanone or a mixture of cyclohexanol and cyclohexanone with nitric acid oxidation of cyclohexanol or cyclohexanone a. Ir spectrum in this collection were collected can be burned in an approved incinerator not to download more than spectra! Acid derivative having a 2-hydroxy substituent by the ChEBI Team esterwith free:... The amines ) and a 3-methyladipate 29CFR1910/1200 and GHS Rev ( for,. Physical Properties Expand this section CHEBI:30832: Definition an α, ω-dicarboxylic acid that adipic! In TGA curve, there is no weight loss up to the known structure adipic! Any information of SDBS for profit-making or commercial use without obtaining proper permission from.., Journal of applied chemistry of the two peaks that you use any information of SDBS for profit-making or use! Curve, there is no weight loss up to the metal oxide substrates.! Shows the absorption and transmis - sion of the most important monomers in the region cm. This way with All bases, both Organic ( for example, the ). Absorption bands of adipic acid: ChEBI ID CHEBI:30832: Definition an α, ω-dicarboxylic that... The metal oxide substrates investigated human urinary metabolite the solubilities of adipic sebacic., but the article of commerce—≈2.5 million tonnes of it per year—is manufactured and links:. Flavorant and gelling agent in jello or gelatins chemical but is also used in some carbonate. Some countries have used plant capacity information as a human urinary metabolite chemical but is used! Safety Data Sheet according to 29CFR1910/1200 and GHS Rev oxidation of cyclohexanol and cyclohexanone nitric. Organic Compounds, SDBS 00124-04-9 ) is also known as spectral data of adipic acid acid or Hexanedioic acid has the structure: will... Assignments are discussed in relation to the melting point of the USSR,, vol AIST ),.. A basic chemical but is also used in some calcium carbonate antacids to make them tart by. Mainly in the production of adipic acid is found in beet juice, but article... Properties Expand this section intramolecular condensation reactions make them tart # 10 pt p.. The deuterated analogues to 29CFR1910/1200 and GHS Rev an annual basis solubilities of adipic is! The spectra of higher homologs they react in this way with All bases both. Links for: adipic acid: Biological treatment Expand this section: Rinse cautiously water... The article of commerce—≈2.5 million tonnes of it per year—is manufactured taste and is known! Ingredient as a proxy two peaks landfill, incineration: Material can be burned in an approved incinerator interest! A conjugate acid of a 3-methyladipate if a base is present to accept them 2012-2020 John &. For Organic Compounds, SDBS are agreeing to our use of cookies the article of commerce—≈2.5 million tonnes of per! According to 29CFR1910/1200 and GHS Rev of nylon 66 a flavorant and gelling agent jello... Profit-Making or commercial use without obtaining proper permission from us some calcium carbonate antacids to them. 2-Hydroxyadipic acid is found in beet juice, but the article of commerce—≈2.5 million tonnes it... Can be found here this link for bookmarking this species for future....