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Methyl 3-hexenoate

Methyl 3-hexenoate structure

CAS No:
2396-78-3
Formula:
C7H12O2
Chemical Name:
Methyl 3-hexenoate
Synonyms:
3-Hexenoic acid,methyl ester;Hydrosorbic acid,methyl ester;Methyl 3-hexenoate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Clear colorless to faintly yellow liquid

colourless liquid

Methyl 3-hexenoate Basic Attributes

Molecular Weight：

128.17

Exact Mass：

128.17

EC Number：

219-256-1

HScode：

29161900

Characteristics

PSA：

26.30000

XLogP3：

1.51570

Appearance：

Clear colorless to faintly yellow Liquid

Density：

0.9132 g/cm³ @ Temp: 25 °C

Melting Point：

-68ºC

Boiling Point：

169 °C

Flash Point：

115 ºF

Refractive Index：

1.426

Storage Conditions：

Flammables area

Vapor Pressure：

4.78mmHg at 25°C

Safety Information

Packing level：

III

Transport codes：

UN 3272

wgk germany：

hazard class code：

safety instructions：

Stability/Shelf Life：

Stable if stored as directed.

Precautionary statement(s)：

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

Hazard Statements：

H226

GHS Classification：

|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 1415 companies from 1 notifications to the ECHA C&L Inventory.

Methyl 3-hexenoate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:128.17
XLogP3:1.5
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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Guide of Methyl 3-hexenoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Methyl 3-hexenoate

SDS

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