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Diethyl glutarate

Diethyl glutarate structure

CAS No:
818-38-2
Formula:
C9H16O4
Chemical Name:
Diethyl glutarate
Synonyms:
Pentanedioic acid,1,5-diethyl ester;Glutaric acid,diethyl ester;Pentanedioic acid,diethyl ester;Diethyl glutarate;Ethyl glutarate;Diethyl pentanedioate;NSC 8890
Categories:
Chemical Reagents > Organic Reagents

Description

It exists as a liquid between its pour point (-24.1°C) and boiling point (236.6°C). It is soluble in ether and slightly soluble in water and alcohol.

Diethyl glutarate is a diester obtained by the formal condensation of carboxy groups of glutaric acid with two molecules of ethanol respectively. It has a role as a metabolite. It derives from a glutaric acid.

Diethyl glutarate Basic Attributes

Molecular Weight：

188.22

Exact Mass：

188.22

EC Number：

212-451-2

UNII：

84O6XW9RFE

NSC Number：

8890

DSSTox ID：

DTXSID5061162

HScode：

29171900

Characteristics

PSA：

52.6

XLogP3：

Density：

1.02704 g/cm³ @ Temp: 15 °C

Melting Point：

-24.1 °C

Boiling Point：

236.5 °C

Flash Point：

96.1±0.0 °C

Refractive Index：

1.427

Water Solubility：

0.05 M

Vapor Pressure：

0.16 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Drug Information

MeSH Entry Terms：

diethyl glutarate

Diethyl glutarate Use and Manufacturing

Methods of Manufacturing

Under ice-cooling, to a suspension of sodium tert-butoxide (24.5 g) in tert-butyl methyl ether (300 mL) was added dropwise a mixture of To a mixture of diisopropyl ether (30 mL) and sodium ethoxide (1.74 g) was added dropwise a mixture of

Manufacturing Info：

Pentanedioic acid, di-C8-26-alkyl esters: INACTIVE|Pentanedioic acid, C18-28-alkyl esters: INACTIVE|Pentanedioic acid, 1,5-diethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:188.22
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:188.10485899
Monoisotopic Mass:188.10485899
Topological Polar Surface Area:52.6
Heavy Atom Count:13
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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