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Ethyl erucate

Ethyl erucate structure

CAS No:
37910-77-3
Formula:
C24H46O2
Chemical Name:
Ethyl erucate
Synonyms:
13-Docosenoic acid,ethyl ester,(13Z)-;13-Docosenoic acid,ethyl ester,(Z)-;Ethyl erucate;(Z)-13-Docosenoic acid ethyl ester;Erucic acid ethyl ester;Ethyl (Z)-13-docosenoate;6045-37-0
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

ChEBI: A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (13Z)-docosenoic acid with the hydroxy group of ethanol.

Ethyl (13Z)-docosenoate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (13Z)-docosenoic acid with the hydroxy group of ethanol. It derives from an erucic acid.

Ethyl erucate Basic Attributes

Molecular Weight：

366.62

Exact Mass：

366.62

EC Number：

253-712-0

UNII：

O5A8YB1V2I

HScode：

2916190090

Characteristics

PSA：

26.3

XLogP3：

8.14740

Appearance：

liquid

Density：

0.8648 g/cm³ @ Temp: 20 °C

Melting Point：

34 °C

Boiling Point：

229-230 °C

Flash Point：

82.9ºC

Refractive Index：

1.457

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Computed Properties

Molecular Weight:366.6
XLogP3:10.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:21
Exact Mass:366.349780706
Monoisotopic Mass:366.349780706
Topological Polar Surface Area:26.3
Heavy Atom Count:26
Complexity:309
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes