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Monomethyl adipate

Monomethyl adipate structure

CAS No:
627-91-8
Formula:
C7H12O4
Chemical Name:
Monomethyl adipate
Synonyms:
Hexanedioic acid,1-methyl ester;Adipic acid,monomethyl ester;Hexanedioic acid,monomethyl ester;Adipic acid,methyl ester;Monomethyl adipate;Methyl adipate;Methyl hydrogen adipate;Methyl hemiadipate;Methyl 5-carboxypentanoate;Monomethyl 1,6-hexanedioate;5-Carbomethoxypentanoic acid;NSC 55113;NSC 9389;6-Methoxy-6-oxohexanoic acid
Categories:
Surfactant > Industrial Surfactant

Description

clear colorless liquid

Liquid|Solid

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.

Monomethyl adipate Basic Attributes

Molecular Weight：

160.169

Exact Mass：

160.17

EC Number：

211-019-0

UNII：

62S39VHD01

NSC Number：

55113|9389

DSSTox ID：

DTXSID9044451

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

0.7

Appearance：

Liquid

Density：

1.1270 g/cm³ @ Temp: 20 °C

Melting Point：

9 °C

Boiling Point：

70-75 °C @ Press: 3 Torr

Flash Point：

107.9±13.3 °C

Refractive Index：

1.439-1.442

Water Solubility：

Not miscible or difficult to mix with water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Monomethyl adipate Use and Manufacturing

Uses

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|Hexanedioic acid, 1-methyl ester: ACTIVE

Computed Properties

Molecular Weight:160.17
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:11
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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