(3E)-6-Methyl-3-hepten-2-one
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(3E)-6-Methyl-3-hepten-2-one
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CAS No:
20859-10-3
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Formula:
C8H14O
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Chemical Name:
(3E)-6-Methyl-3-hepten-2-one
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Synonyms:
3-Hepten-2-one,6-methyl-,(3E)-;3-Hepten-2-one,6-methyl-,(E)-;(3E)-6-Methyl-3-hepten-2-one;(3E)-6-Methylhept-3-en-2-one;(E)-6-Methylhept-3-en-2-one
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CAS No:
Description
Colourless liquid; oily-green, pungent herbaceous odour
6-Methyl-3-hepten-2-one, trans- is an enone.
(3E)-6-Methyl-3-hepten-2-one Basic Attributes
126.19600
126.20
606-433-7|606-660-1
UCK6O61TJ3
DTXSID60174973
Characteristics
17.07000
2.17770
0.8450 g/cm3 @ Temp: 13 °C
69-70 °C @ Press: 18 Torr
62.7ºC
1.429
insoluble in water; soluble in fats and non-polar solvents|Miscible at room temperature (in ethanol)
0.962mmHg at 25°C
(3E)-6-Methyl-3-hepten-2-one Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:126.20
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:112
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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