(E)-3-Hexenal
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(E)-3-Hexenal
structure -
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CAS No:
69112-21-6
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Formula:
C6H10O
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Chemical Name:
(E)-3-Hexenal
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Synonyms:
3-Hexenal,(3E)-;3-Hexenal,(E)-;(3E)-3-Hexenal;trans-3-Hexenal;(E)-3-Hexenal;(3E)-Hexenal
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CAS No:
Description
Colourless liquid; fruity, apple-like aroma
3-hexenal is a hexenal carrying an unsaturation at position 3.
Characteristics
17.1
1.1
Colourless liquid; fruity, apple-like aroma
0.8445 g/cm3 @ Temp: 20 °C
-78°C (estimate)
42-43 °C @ Press: 28 Torr
1.425-1.435
insoluble in water; soluble in fat
Safety Information
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 137 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(E)-3-Hexenal Use and Manufacturing
3-Hexenal: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty aldehydes [FA06]
Flavoring Agents
Computed Properties
Molecular Weight:98.14
XLogP3:1.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:64.6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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