Methyl 2-hexenoate
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Methyl 2-hexenoate
structure -
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CAS No:
2396-77-2
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Formula:
C7H12O2
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Chemical Name:
Methyl 2-hexenoate
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Synonyms:
2-Hexenoic acid,methyl ester;Methyl 2-hexenoate;3-Propylacrylic acid methyl ester;Methyl 3-propylacrylate
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CAS No:
Description
Methyl 2-hexenoate has a green, musty, earthy, sweet, fruity odor and a very powerful, sharp, green-fruity flavor
Colourless mobile liquid; Fruity aroma
Characteristics
26.3
1.9
Colourless mobile liquid; Fruity aroma
0.907 g/cm3
32 °C
56-58 °C @ Press: 13 Torr
45.4ºC
1.427
Very slightly soluble in water; soluble in oils
4.06mmHg at 25°C
Safety Information
Ⅲ
1993
3
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 154 companies from 1 notifications to the ECHA C&L Inventory.
Methyl 2-hexenoate Use and Manufacturing
was repeated except that as acetylenically unsaturated compound 10 ml 1-pentyne was used. The reaction time was 1 hour. A pentyne consumption rate of 300 turnovers per hour per mol Pt was calculated. The products consisted of 65percent of linear methyl 2-hexenoate and 35percent of 2-methyloxy carbonyl 1-pentene.
2-Hexenoic acid, methyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:128.17
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:106
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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