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Methyl erucate

Methyl erucate structure

Methyl erucate 

structure
  • CAS No:

    1120-34-9

  • Formula:

    C23H44O2

  • Chemical Name:

    Methyl erucate

  • Synonyms:

    13-Docosenoic acid,methyl ester,(13Z)-;13-Docosenoic acid,methyl ester,(Z)-;Brassidic acid,methyl ester;Methyl erucate;Erucic acid methyl ester;Methyl 13(Z)-docosenoate;Methyl cis-13-docosenoate;Agnique ME 22U;(Z)-Erucic acid methyl ester

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

Methyl erucate Basic Attributes

352.59

352.59

214-305-3

2916190090

Characteristics

26.3

9.8

Liquid

0.8702 g/cm3 @ Temp: 20 °C

-1.16-1.20 °C

221-222 °C @ Press: 5 Torr

33 °C

1.457

2.32E-07mmHg at 25°C

Safety Information

3

UN 3272 3/PG 3

1

10

16

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

H226

Methyl erucate Use and Manufacturing

Uses

Used in the production of erucyl alcohol, erucamide and other derivatives

13-Docosenoic acid, methyl ester, (13Z)-: ACTIVE

Computed Properties

Molecular Weight:352.6
XLogP3:9.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:20
Exact Mass:352.334130642
Monoisotopic Mass:352.334130642
Topological Polar Surface Area:26.3
Heavy Atom Count:25
Complexity:297
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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