4,8-Dimethyl-3,7-nonadien-2-one
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4,8-Dimethyl-3,7-nonadien-2-one
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CAS No:
817-88-9
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Formula:
C11H18O
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Chemical Name:
4,8-Dimethyl-3,7-nonadien-2-one
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Synonyms:
3,7-Nonadien-2-one,4,8-dimethyl-;4,8-Dimethyl-3,7-nonadien-2-one
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CAS No:
Description
(E) and (Z)-4,8-Dimethyl-3,7-nonadien-2-one has a floral-fruity odor. In a U.S. patent, the olfactory properties of this compound have been described as fruity, fresh, acetate, rose oxide, aqueous grapefruit, melon, fresh, bergamot and rosemary
Characteristics
17.07000
3.26810
Colourless to light yellow liquid; floral-fruity odour
0.856 g/cm3
250.5ºC at 760 mmHg
102.4ºC
insoluble in water; 50% soluble in heptane or triacetin
Computed Properties
Molecular Weight:166.26
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:166.135765193
Monoisotopic Mass:166.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:205
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes