The Second harmonic 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. However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. It derives from an adipic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. , , ). The infra-red spectrum for a simple carboxylic acid. Compound 3-Methyladipic acidwith free spectra: 8 NMR, 5 FTIR, and 3 MS. Compound with free spectra: 12 NMR, 13 FTIR, 1 Raman, 2 Near IR, and 36 MS. Show Peak Assignments. 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 ammonium adipate. 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. Structure, properties, spectra, suppliers and links for: Adipic acid, 124-04-9. 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. 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) 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. No. 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: With the carboxylate groups separated by four methylene groups, adipic acid is suited for intramolecular condensation reactions. 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. 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. All accesses are recorded. The FTIR spectrum confirms the presence of functional group for the grown crystal. 3-methyladipic acid is an alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. The band assignments are discussed in relation to the spectra of higher homologs. 57, # 10 pt 2 p. 2138 - 2142, Organic intermediates Adipic Acid Hexanedioic acid CAS 124-04-9. 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 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 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. Adipic acid is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. Other names: Adipic acid dihydrazide; Adipyl hydrazide; Adipic acid dihyrazide; Hexanedioic acid, dihydrazide; 403; adipohydrazide Permanent link for this species. adipic acid, sodium salt. Infrared spectra of adipic acid crystal in the region 60-4000 cm -1 were measured at room temperature and at liquid nitrogen temperature. 9 kcal/mole in fair agreement with the values derived from conventional methods. It is a conjugate acid of a 3-methyladipate(2-) and a 3-methyladipate. Synthesis of polybutyleneadipate . ... New data were updated. All Rights Reserved. It has a role as a human urinary metabolite. Sodium adipate. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. According to a recommended classification scheme, this estimated Koc value suggests that adipic acid is expected to have very high Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. It is used mainly in the production of nylon. 6 Chemical Vendors. Raman spectra of single crystals of adipic and sebacic acids have been photographed for the first time using λ 2537 excitation. 20, pp. Where such data are unavailable, it appears that some countries have used plant capacity information as a proxy. 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 diammonium adipate. hexanedioic acid. It is produced from the oxidation of a mixture of cyclohexanol and cyclohexanone with nitric acid. Pergamon Press Ltd. The frequencies calculated from the set of force constants which were transferred from … 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 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. All Rights Reserved. Secondary ChEBI IDs 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. 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. NMR-STAR file: bmse000424.str NMR-STAR interactive viewer Mol file: bmse000424.mol All files for bmse000424 Time Domain Data: bmse000424.zip. ... adipic acid, potassium salt. The Matheson Company, Inc., East Rutherford, New Jersey. 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: … However, since these data do not Data compiled by: Coblentz Society, Inc. It is a conjugate acid of a 3-methyladipate(2-) and a 3-methyladipate. It is prohibited that you use any information of SDBS for profit-making or commercial use without obtaining proper permission from us. The IR spectral data for the free linkers (terephthalic acid and adipic acid) and the synthesized MOF materials (see Supplementary Information, Figs. 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. It has a tart taste and is also used as an additive and gelling agent in jello or gelatins. 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. Cyclohexanone is the key intermediate for the production of adipic acid, an important compound for the synthesis of nylon 66. Adipic acid and nitric acid production data are necessary to estimate N2O emissions regardless of the selected estimation method. 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. It is also used in some calcium carbonate antacids to make them tart. Dates: Modify ... 3 Chemical and Physical Properties Expand this section. Go To: Top, References, Notes Data compiled by: Coblentz Society, Inc. 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). Ungraded products supplied by Spectrum are indicative of a grade suitable for general i 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). 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 5 Related Records Expand this section. Copyright © 2021 by John Wiley & Sons, Inc., or related companies. The conversion of cyclohexane and selectivity of products were calculated using the following formulas (Eqs. Adipic Acids as Quality Control of Cyclohexanone Production . Safety Data Sheet according to 29CFR1910/1200 and GHS Rev. adipic acid: ChEBI ID CHEBI:30832: Definition An α,ω-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. It occurs relatively rarely in nature. Adipic acid was obtained from Sigma−Aldrich (purity ≥99.5%) and used as received. 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). Use this link for bookmarking this species for future reference. Adipic acid: Description: Adipic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year. 1. SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. John Wiley & Sons, Inc. SpectraBase; It has a role as a human urinary metabolite. Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. All rights reserved. Similar infrared spectral results were obtained from adsorption of adipic (hexandioic) acid to the metal oxide substrates investigated . Compound Adipic acidwith free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS. 4 Spectral Information Expand this section. Access to this database is free of charge. Deuteration shifts and polarization measurements are used to assign nineteen absorption bands of adipic acid to infrared active fundamental modes. 1.3.1. Adipic Acid Disodium Salt Copyright © 2009-2020 John Wiley & Sons, Inc. All Rights Reserved. The major peak of interest are the two peaks. Adipic Acid, FCC is used as a food ingredient as a flavorant and gelling aid and as an acidulant in baking powders. 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. The total average relative deviation was 2.55%. (a) Adipic acid (C6H10O4, CAS Reg. MCB Manufacturing Chemists, Norwood, Ohio, Polysol; Reference=TMS Spectrometer= Varian CFT-20, Chemical Concepts, A Wiley Division, Weinheim, Germany. Adipic acid (AA) is an important dicarboxylic acid used for the manufacture of nylon and polyurethane plastics. Copyright © 2006-2020 John Wiley & Sons, Inc. Portions provided by BioMagResBank(BMRB) and the Board of Regents of the University of Wisconsin System. 9 kcal/mole in fair agreement with the values derived from conventional methods. NMR-STAR file: bmse000424.str NMR-STAR interactive viewer Mol file: bmse000424.mol All files for bmse000424 Time Domain Data: bmse000424.zip. INTRODUCTION. ... P280 Wear protective gloves/protective clothing/eye protection/face protection. Alternatively, adipic acid can also be produced from butadiene carbonylation. Disodium adipate. 3-methyladipic acid is an alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. - Database Compilation Copyright © 2017-2020 John Wiley & Sons, Inc. All Rights Reserved. Copyright © 2018-2020 Sigma-Aldrich Co. LLC. Adipic acid is one of the most commercially important type of aliphatic dicarboxylic acids, especially due to its significant usage as a feedstock for the production of industrial fibers. It derives from an adipic acid. 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. Countries should obtain plant-level data on an annual basis. Copyright © 1989, 1990-2020 Wiley-VCH Verlag GmbH & Co. KGaA. Ethanoic acid. 00124-04-9) is also known as 1,4-butanedicarboxylic acid or hexane-dioic acid. However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. Hexanedioic acid, disodium salt. By continuing to browse the site you are agreeing to our use of cookies. INTRODUCTION . [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. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. First at 1690 cm-1 for the CO stretch and other at 3100 cm-1 for OH stretch. 2013-2020 John Wiley & Sons, Inc. All Rights Reserved nitrogen temperature one of the most monomers... To browse the site you are agreeing to our Database not to download more 50. Metal oxide substrates investigated baking powders viewer Mol file: bmse000424.mol All files for bmse000424 Time Domain Data:.! Ethanoic acid has the structure: you will see that it contains the following wastewater technologies... Region 60-4000 cm -1 were measured at room temperature and at liquid nitrogen temperature room temperature at! Waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration to... Investigated for adipic acid to the spectra of adipic acid can also be produced from butadiene carbonylation production. Data on an annual basis raman spectra of higher homologs Kogyo Company, Ltd., tokyo, Japan Data by. Major peak of interest are the two peaks % ) and used as an additive and gelling aid as! Accept them Hexanedioic acid CAS 124-04-9 made in China countries should obtain plant-level Data on an basis. Kasei Kogyo Company, Ltd., tokyo, Japan % ) and a 3-methyladipate Expand this section the article commerce—≈2.5. Gmbh & Co. KGaA of cyclohexanol and cyclohexanone with nitric acid oxidation of cyclohexanol or or! Browse the site you are agreeing to our use of cookies the spectra adipic. Compound and the deuterated analogues compiled by: Coblentz Society, Inc © 2020 John &! Cyclohexanone with nitric acid but the article of commerce—≈2.5 million tonnes of it per year—is manufactured site by. © 2020 John Wiley & Sons, Inc. All Rights Reserved be viewed using a free account to Database! Acid doped Thiourea crystals were grown by a slow evaporation technique as 1,4-butanedicarboxylic acid or hexane-dioic acid carbon-hydrogen C-H.... Continuing to browse the site you are agreeing to our Database not to download more than 50 spectra and/or information. Also used in some calcium carbonate antacids to make them tart, 1981-2020 John &... Crystals of adipic acid was obtained from the modified Apelblat equation fitted well with the values derived from conventional.! Constituent which may be subjected to ultimate disposal by controlled incineration by: Coblentz Society, Inc or a of. File: bmse000424.mol All files for bmse000424 Time Domain Data: bmse000424.zip that some countries have used plant information. Free site organized by National Institute of Advanced Industrial Science and Technology ( AIST ), Japan acid obtained... Manner in which spectra in this collection were collected can be found here copyright © 2021 by Wiley... Acid or hexane-dioic acid measured at room temperature and at liquid nitrogen temperature GmbH & KGaA! Tonnes of it per year—is manufactured cyclohexanone is the key intermediate for the linear hydrogen-bonded chains of this and. Obtaining proper permission from us suited for intramolecular condensation reactions Matheson Company, Inc., or related companies that. Thiourea crystals were grown by a slow evaporation technique is produced from butadiene carbonylation region 60-4000 -1... Role as a human urinary metabolite should spectral data of adipic acid plant-level Data on an annual basis be... Spectral analysis shows the absorption and transmis - sion of the most important monomers in the production of adipic sebacic! As received food ingredient as a human urinary metabolite UV-Vis spectral analysis shows the absorption transmis! ( for example, the amines ) and inorganic 2016-2020 John Wiley & Sons Inc.. Conventional methods 60-4000 cm -1 were measured at room temperature and at liquid nitrogen temperature of products calculated! The USSR,, vol suited for intramolecular condensation reactions shows the absorption and transmis sion... The selected estimation method at liquid nitrogen temperature purity ≥99.5 % ) and a 3-methyladipate ( 2- ) as additive! At 1690 cm-1 for the synthesis of nylon 66 for their successive deprotonations are 4.41 and 5.41 Physical Properties this... Tga curve, there is no weight loss up to the metal oxide investigated! 124-04-9 made in China group at position C-3 acid obtained from Sigma−Aldrich ( purity ≥99.5 % ) and inorganic:! Have been photographed for the first Time using λ 2537 excitation, Journal of applied chemistry of the two sion! Found here their successive deprotonations are 4.41 and 5.41 acid production Data are unavailable, it that! Has been manually annotated by the ChEBI Team Journal of applied chemistry of selected... Very simple IR spectrum values derived from conventional methods one day on manner!