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Ethyl 4-pentenoate

Ethyl 4-pentenoate structure

CAS No:
1968-40-7
Formula:
C7H12O2
Chemical Name:
Ethyl 4-pentenoate
Synonyms:
4-Pentenoic acid,ethyl ester;Ethyl 4-pentenoate;4-Ethoxycarbonylbut-1-ene
Categories:
Organic Chemistry > Organosulfur Compounds

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Description

Colourless liquid; Green fruity aroma

Ethyl 4-pentenoate is a fatty acid ester.

Ethyl 4-pentenoate Basic Attributes

Molecular Weight：

128.17

Exact Mass：

128.17

EC Number：

217-818-0

UNII：

210UM0F8JP

DSSTox ID：

DTXSID7062089

Characteristics

PSA：

26.3 Å²

Density：

0.9234 g/cm³ @ Temp: 40 °C

Boiling Point：

130 °C @ Press: 12 Torr

Refractive Index：

1.4170

Water Solubility：

Miscible with alcohol. Immiscible with water.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3272

hazard class code：

10-36

safety instructions：

16-26-60-43-33-7

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 5 companies from 2 notifications to the ECHA C&L Inventory.

Ethyl 4-pentenoate Use and Manufacturing

Manufacturing Info：

4-Pentenoic acid, ethyl ester: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:128.17
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes