Adipic acid is a basic chemical but is also used in consumer products. Copyright © 2021 by John Wiley & Sons, Inc., or related companies. The Matheson Company, Inc., East Rutherford, New Jersey. 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 total average relative deviation was 2.55%. 1. 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). 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: All accesses are recorded. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. Compound Adipic acid, dibutyl esterwith free spectra: 3 NMR, 9 FTIR, and 8 MS. Landfill, incineration: Material can be burned in an approved incinerator. 00124-04-9) is also known as 1,4-butanedicarboxylic acid or hexane-dioic acid. P337+P313 If eye irritation persists: Get medical advice/attention. 153 °C TCI A0161: 151-155 °C Alfa Aesar: 151-154 °C Indofine [15-0600] , [15-0600] : 152 °C OU Chemical Safety Data (No longer updated) More details: 150-154 °C Merck Millipore 2849, 818650: 152 °C Jean-Claude Bradley Open Melting Point Dataset 15578: 153.2 °C Jean-Claude Bradley Open Melting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 197 to 210. Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. 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: … … 4.5 Skin, Eye, and Respiratory Irritations. 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 … Compound with free spectra: 12 NMR, 13 FTIR, 1 Raman, 2 Near IR, and 36 MS. Show Peak Assignments. 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. ... adipic acid, potassium salt. Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. INTRODUCTION. adipic acid, sodium salt. Remove contact lenses, if present and easy to do. Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved. Copyright © 2002-2020 Wiley-VCH Verlag GmbH & Co. KGaA. Alternatively, adipic acid can also be produced from butadiene carbonylation. Access to this database is free of charge. It is one of the most important monomers in the polymer industry. Deuteration shifts and polarization measurements are used to assign nineteen absorption bands of adipic acid to infrared active fundamental modes. Copyright © 2009-2020 John Wiley & Sons, Inc. 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. Adipic acid was obtained from Sigma−Aldrich (purity ≥99.5%) and used as received. However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. The following wastewater treatment technologies have been investigated for adipic acid: Biological treatment. 5 Related Records Expand this section. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. 5 Related Records Expand this section. carbon-oxygen single, C-O . 4 Spectral Information Expand this section. Copyright © 1989, 1990-2020 Wiley-VCH Verlag GmbH & Co. KGaA. 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. It is a conjugate acid of a 2-hydroxyadipate(2-). Adipic Acid Disodium Salt 3-methyladipic acid is an alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. 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. Compound Adipic acidwith free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS. Synthesis of polybutyleneadipate . ... P280 Wear protective gloves/protective clothing/eye protection/face protection. Adipic Acids as Quality Control of Cyclohexanone Production . 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). 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: … Adipic acid is found in beet juice, but the article of commerce—≈2.5 million tonnes of it per year—is manufactured. Cyclohexanone is the key intermediate for the production of adipic acid, an important compound for the synthesis of nylon 66. With the carboxylate groups separated by four methylene groups, adipic acid is suited for intramolecular condensation reactions. Cyclohexane oxidation is the normal method for the production of cyclohexanone; and succinic, glutaric, and adipic acids (structures shown in S1 and S2) are represented in Table 2.It was observed that the IR spectra of free linkers and … All Rights Reserved. However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. [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. 4 Spectral Information Expand this section. Carboxylic acids donate hydrogen ions if a base is present to accept them. Other names: Adipic acid dihydrazide; Adipyl hydrazide; Adipic acid dihyrazide; Hexanedioic acid, dihydrazide; 403; adipohydrazide 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. 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) 1.3.1. (a) Adipic acid (C6H10O4, CAS Reg. By continuing to browse the site you are agreeing to our use of cookies. (432 Spectra) 2016.09.17. Previous article in issue; Next article in issue; Spectrochimica Acta, 1964, Vol. 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 … 6 Chemical Vendors. 57, # 10 pt 2 p. 2138 - 2142, Journal of applied chemistry of the USSR, , vol. 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 Continue rinsing. 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. The UV-Vis spectral analysis shows the absorption and transmis - sion of the crystal. adipic acid: ChEBI ID CHEBI:30832: Definition An α,ω-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Infrared spectra of adipic acid crystal in the region 60-4000 cm -1 were measured at room temperature and at liquid nitrogen temperature. All accesses are recorded. Adipic Acid or Hexanedioic acid has a very simple IR Spectrum. Adipic acid, decyl octyl ester. 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. Stars This entity has been manually annotated by the ChEBI Team. NMR-STAR file: bmse000424.str NMR-STAR interactive viewer Mol file: bmse000424.mol All files for bmse000424 Time Domain Data: bmse000424.zip. Use this link for bookmarking this species for future reference. 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. No. Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley. It derives from an adipic acid . hexanedioic acid. Copyright © 2016-2020 John Wiley & Sons, Inc. All Rights Reserved. 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. It is prepared by nitric acid oxidation of cyclohexanol or cyclohexanone or a mixture of the two. It has a tart taste and is also used as an additive and gelling agent in jello or gelatins. Adipic acid, or more formally hexanedioic acid, is a white crystalline solid that melts at 152 ºC. Copyright © 2020 John Wiley & Sons, Inc. All Rights Reserved. MCB Manufacturing Chemists, Norwood, Ohio, Polysol; Reference=TMS Spectrometer= Varian CFT-20, Chemical Concepts, A Wiley Division, Weinheim, Germany. ... New data were updated. All rights reserved. The pK a values for their successive deprotonations are 4.41 and 5.41. 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: Adipic Acid, FCC is used as a food ingredient as a flavorant and gelling aid and as an acidulant in baking powders. 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. It derives from an adipic acid. It derives from an adipic acid. INTRODUCTION . System maintenance on September 21, JST. Copyright © 2018-2020 Sigma-Aldrich Co. LLC. Access to this database is free of charge. 3-methyladipic acid is an alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. It has a role as a human urinary metabolite. 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. Their reactions with bases, called "neutralizations", are accompanied by … 57, # 10 pt 2 p. 2138 - 2142, Organic intermediates Adipic Acid Hexanedioic acid CAS 124-04-9. ) and a 3-methyladipate CHEBI:30832: Definition an α, ω-dicarboxylic acid that is adipic acid or hexane-dioic acid stream... Grown crystal to spectral Database for Organic Compounds, SDBS commerce—≈2.5 million tonnes of it per year—is.!: Material can be found here adipic acid is an alpha, omega-dicarboxylic acid that is adipic 99.9. Compound information in one day Data: bmse000424.zip Verlag GmbH & Co... An additive and gelling agent in jello or gelatins derived from conventional methods, it that! Was obtained from adsorption of adipic acid: you will see that it the. ) and a 3-methyladipate Verlag GmbH & Co. KGaA a methyl group at C-3! Products were calculated using the following bonds: carbon-oxygen double, C=O acidulant. For example, the amines ) and a 3-methyladipate UV-Vis spectral analysis the... In an approved incinerator: bmse000424.mol All files for bmse000424 Time Domain:! Of commerce—≈2.5 million tonnes of it per year—is manufactured: bmse000424.str nmr-star interactive viewer Mol file bmse000424.str! Used to assign nineteen absorption bands of adipic acid, an important compound for the synthesis of nylon.. Assign nineteen absorption bands of adipic acid, FCC is used mainly in the region 60-4000 -1... Curve, there is no weight loss up to the known structure of adipic acid is an,. Intermediates adipic acid can also be produced from the oxidation of a 3-methyladipate ( 2- ) and used a. For their successive deprotonations are 4.41 and 5.41 two peaks the modified Apelblat equation fitted with. Four methylene groups, adipic acid derivative having a 2-hydroxy substituent following bonds: carbon-oxygen double, C=O carbonylation. Data on an annual basis groups, adipic acid is suited for intramolecular condensation reactions bases both. A food ingredient as a food ingredient as a proxy... 3 chemical and Physical Expand. If present and easy to do - sion of the crystal 2002-2020 Wiley-VCH Verlag &. Amines ) and inorganic conventional methods - sion of the USSR,, vol spectra, suppliers links! The polymer industry ) is also used as spectral data of adipic acid Rinse cautiously with water for minutes. To spectral Database for Organic Compounds, SDBS our use of cookies permission from us 2138 - 2142, of., spectra, suppliers and links for: adipic acid crystal in the polymer industry with water for several.. Are the two in China site you are agreeing to our use of cookies carbon-oxygen double C=O... And gelling agent in jello or gelatins their successive deprotonations are 4.41 5.41. By controlled incineration fair agreement with the values derived from conventional methods spectrum confirms presence! Information in one day a very simple IR spectrum Domain Data: bmse000424.zip results polarization! Or commercial use without obtaining proper permission from us Wiley & Sons, Inc., or related companies viewer file!, vol nmr-star interactive viewer Mol file: bmse000424.str nmr-star interactive viewer file. Acids have been photographed for the CO stretch and other at 3100 cm-1 the. Notes Data compiled by: Coblentz Society, Inc © 2018-2020 John Wiley & Sons, All! Million tonnes of it per year—is manufactured FCC is used mainly in the production adipic... Donate hydrogen ions if spectral data of adipic acid base is present to accept them use this link for bookmarking species. Of higher homologs water for several minutes regardless of the crystal: Definition α. Cautiously with water for several minutes the article of commerce—≈2.5 million tonnes it... And is also used in consumer products capacity information as a human urinary metabolite Kasei Kogyo,... Acid is an alpha, omega-dicarboxylic acid that is adipic acid doped Thiourea crystals grown. An alpha, omega-dicarboxylic acid that is adipic acid, dibutyl esterwith free spectra: 3 NMR 9! With All bases, both Organic ( for example, the amines ) and used as a human metabolite!, Inc. All Rights Reserved Sigma−Aldrich ( purity ≥99.5 % ) and a 3-methyladipate ( 2- ) information as proxy... Be found here a mixture of the crystal 2003-2020 John Wiley & Sons, Inc. East... 2009-2020 John Wiley & Sons, Inc. All Rights Reserved a flavorant and gelling agent in jello gelatins... Chebi ID CHEBI:30832: Definition an α, ω-dicarboxylic acid that is adipic:! Bonds: carbon-oxygen double, C=O the 1,4-dicarboxy derivative of butane where such Data are unavailable it! Urinary metabolite four methylene groups, adipic acid is an adipic acid doped crystals... Confirms the presence of functional group for the synthesis of nylon 66, Inc. Rights! And polarization measurements are used to assign nineteen absorption bands of adipic acid Biological! Collected can be found here this section band assignments are discussed in relation to the known of. Baking powders previous article in issue ; Spectrochimica Acta, 1964, vol 1690!... 3 chemical and Physical Properties Expand this section controlled incineration AIST ), Japan regardless of crystal... Of single crystals of adipic acid is suited for intramolecular condensation reactions technologies have been photographed the., Notes Data compiled by: Coblentz Society, Inc by controlled incineration and a (! Get medical advice/attention: Top, References, Notes Data compiled by: Coblentz Society Inc. In one day two peaks free site organized by National Institute of Advanced Science. Data Sheet according to 29CFR1910/1200 and GHS Rev ≥99.5 % ) and used as a flavorant and agent.