Ethyl 2-methyl-4-pentenoate
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Ethyl 2-methyl-4-pentenoate
structure -
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CAS No:
53399-81-8
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Formula:
C8H14O2
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Chemical Name:
Ethyl 2-methyl-4-pentenoate
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Synonyms:
4-Pentenoic acid,2-methyl-,ethyl ester;Ethyl 2-methyl-4-pentenoate;2-Methyl-4-pentenoic acid ethyl ester;105999-68-6
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CAS No:
Description
Ethyl 2-methyl-4-pentenoate has a fruity, green, banana–pineapple odor
Ethyl 2-methyl-4-pentenoate is a fatty acid ester.
Characteristics
26.3
2.33
0.9±0.1 g/cm3
-65.52°C (estimate)
153-155 °C @ Press: 760 Torr
105 °F
1.422
475.7 mg/L @ 25 °C (est)|insoluble in water, soluble in alcohol and fixed oils
Safety Information
III
3
UN 3272 3/PG 3
3
10
16
Xi
Irritant
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 1444 companies from 2 notifications to the ECHA C&L Inventory.
Ethyl 2-methyl-4-pentenoate Use and Manufacturing
GB 2760-96 stipulates the allowable food flavors. Flavors used in chewing gum, tropical fruit products and ice cream with candied fruit.
4-Pentenoic acid, 2-methyl-, ethyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:142.20
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:118
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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