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Monomethyl adipate

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CAS:627-91-8
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CAS:627-91-8
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Monomethyl adipate Basic information
Product Name:Monomethyl adipate
Synonyms:Hexanedioic acid hydrogen 1-methyl;Adipic acid monometh;MonoMethyl adipate, 98% 5GR;Adipic acid 1-methyl ester;Adipic acid hydrogen 1-methyl;Adipic acid hydrogen 1-methyl ester;Hexanedioic acid 1-methyl;Adipic Acid Monomethyl Ester Methyl Hydrogen Adipate Monomethyl Hexanedioate Hexanedioic Acid Monomethyl Ester
CAS:627-91-8
MF:C7H12O4
MW:160.17
EINECS:211-019-0
Product Categories:Building Blocks;C6 to C7;Carbonyl Compounds;Senior lubricating oil;Chemical Synthesis;Esters;Organic Building Blocks;1
Mol File:627-91-8.mol
Monomethyl adipate Structure
Monomethyl adipate Chemical Properties
Melting point 7-9 °C (lit.)
Boiling point 162 °C/10 mmHg (lit.)
density 1.081 g/mL at 25 °C (lit.)
vapor pressure 1.48Pa at 25℃
refractive index n20/D 1.441(lit.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Sparingly), Methanol (Slightly)
pka4.69±0.10(Predicted)
form Liquid
color Clear colorless
Water Solubility Not miscible or difficult to mix with water.
BRN 1766411
InChI1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyUOBSVARXACCLLH-UHFFFAOYSA-N
SMILESCOC(=O)CCCCC(O)=O
LogP0.500 (est)
CAS DataBase Reference627-91-8(CAS DataBase Reference)
NIST Chemistry ReferenceHexanedioic acid, monomethyl ester(627-91-8)
EPA Substance Registry SystemMonomethyl adipate (627-91-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25-36-26
WGK Germany 3
TSCA TSCA listed
HS Code 29171290
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
Monomethyl adipate English
SigmaAldrich English
ACROS English
ALFA English
Monomethyl adipate Usage And Synthesis
Chemical Propertiesclear colorless liquid
UsesMethyl hydrogen adipate is a useful synthetic intermediate. It can be used to prepare 1,3,4-thiadiazole hydroxamic acid derivatives as novel histone deacetylase inhibitors which show potential antitumor activities. It can be also used to synthesize mannose-linked biphenylylacetic acid derivatives as novel inhibitors of selectin-mediated cell adhesion.
DefinitionChEBI: Monomethyl adipate is a dicarboxylic acid monoester that is the monomethyl ester of adipic acid. It has a role as a metabolite and a plasticiser.
SynthesisAccording to the general procedure described above, a has been synthesized from adipic acid (730mg, 5 mmol) and methanol (10 ml). Yield: 80%.
The synthetic method of Monomethyl adipate mainly contains following three kinds:
The one, under alkaline condition or issue the first portion hydrolysis reaction in the catalysis of bioactive enzyme (pork liver lipase etc.) and obtain Monomethyl adipate (such as document Blaise; Koehler; Bulletin de la Societe Chimique deFrance; Vol. (4) 7; (1910); P.219).
The 2nd, by hexanodioic acid or adipic anhydride and ethanol, as catalyzer, the control reaction conditions carries out esterification and obtains Monomethyl adipate (such as document Chem.Zentralbl. with acid; Vol.97; (1926; P.126));
The 3rd, by the people such as Swann nineteen forty-three with hexanodioic acid, diethylene adipate and ethanol with the condition of acid as catalyst under control reaction conditions obtain monomethyl adipate(document such as Swann; Oehler; Buswell; Org.synth.Coll.Vol.11; (1943); P.227).
Synthetic method of monomethyl adipate
http://www.orgsyn.org/demo.aspx?prep=CV2P0264
Tag:Monomethyl adipate(627-91-8) Related Product Information
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