2-Octenoic acid, methylester, (2E)-

CAS

7367-81-9

Catalog Number

ACM7367819

Category

Other Products

Molecular Weight

156.22

Molecular Formula

C9H16 O2

MSDS COA Spec Sheet

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Specification

Synonyms

Methyl oct-2-enoate, METHYL 2-OCTENOATE, Methyl trans-2-octenoate, trans-Methyl-2-octenoate, 2-Octenoic acid, methyl ester, Methyl (E)-2-octenoate, Methyl (E)-oct-2-enoate, Methyl 2-octenoate, (E)-, W371203_ALDRICH, FEMA No. 3712, 2-Octenoic acid, methyl ester, (E)-, EINECS 219-259-8, EINECS 230-912-6, NSC617617, ZINC01613340, 2-Octenoic acid, methyl ester, (Z)-, CID5364532, OR24496, 2-Octenoic acid, methyl ester, (2Z)-, 7367-81-9

IUPAC Name

methyl (E)-oct-2-enoate

Canonical SMILES

CCCCCC=CC(=O)OC

InChI Key

CJBQSBZJDJHMLF-BQYQJAHWSA-N

Boiling Point

89-91ºC9 mm Hg

Flash Point

82.8ºC

Density

0.898 g/mL at 25ºC

Appearance

COLORLESS LIQUID

EC Number

230-912-6

Exact Mass

156.11500

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S36

WGK Germany

Upstream Synthesis Route 1

922-69-0
66-25-1

7367-81-9

Reference: [1]McElvain et al.
[Journal of the American Chemical Society, 1954, vol. 76, p. 5736,3737]

Upstream Synthesis Route 2

67-56-1
628-71-7
201230-82-2

7367-81-9

Reference: [1]Murray,T.F.; Norton,J.R.
[Journal of the American Chemical Society, 1979, vol. 101, p. 4107 - 4119]

Downstream Synthesis Route 1

85-41-6
7367-81-9

141627-79-4

Reference: [1]Gerwick, William H.; Jiang, Zhi D.; Agarwal, Santosh K.; Farmer, Bennett T.
[Tetrahedron, 1992, vol. 48, # 12, p. 2313 - 2324]
[2]Bonnard, Isabelle; Rolland, Marc; Salmon, Jean-Marie; Debiton, Eric; Barthomeuf, Chantal; Banaigs, Bernard
[Journal of Medicinal Chemistry, 2007, vol. 50, # 6, p. 1266 - 1279]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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