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ChemicalBook--->CAS DataBase List--->1604-28-0

1604-28-0

1604-28-0 Structure

1604-28-0 Structure
IdentificationBack Directory
[Name]

6-METHYL-3,5-HEPTADIEN-2-ONE
[CAS]

1604-28-0
[Synonyms]

FEMA 3363
METHYLHEPTADIENON
TIMTEC-BB SBB008066
METHYL HEPTADIENONE
6-methyl-5-heptadien-2-one
6-Methylhepta-3,5-dien-2-on
6-METHYL-3,5-HEPTADIENONE-2
6-methylhepta-3,5-dien-2-one
6-METHYL-3,5-HEPTADIEN-2-ONE
5-Heptadien-2-one,6-methyl-3
2-methyl-2,4-heptadien-6-one
6-Methyl-3,5-heptadiene-2-one
3,5-Heptadien-2-one, 6-methyl-
6-Methyl-hepta-3,5-diene-2-one
(E)-6-Methylhepta-3,5-dien-2-one
(3E)-6-Methyl-3,5-heptadien-2-one
6-METHYL-3,5-HEPTADIEN-2-ONE USP/EP/BP
[EINECS(EC#)]

216-507-7
[Molecular Formula]

C8H12O
[MDL Number]

MFCD00043647
[MOL File]

1604-28-0.mol
[Molecular Weight]

124.18
Chemical PropertiesBack Directory
[Boiling point ]

95-96°C 20mm
[density ]

0,89 g/cm3
[FEMA ]

3363 | 6-METHYL-3,5-HEPTADIEN-2-ONE
[refractive index ]

1.5340
[Fp ]

95-96°C/20mm
[form ]

liquid
[Odor]

at 1.00 % in dipropylene glycol. cinnamon coconut spice woody sweet weedy
[Odor Type]

spicy
[Water Solubility ]

Miscible with alcohol. Immiscible with water.
[JECFA Number]

1134
[BRN ]

1699937
[LogP]

1.68
[EPA Substance Registry System]

3,5-Heptadien-2-one, 6-methyl- (1604-28-0)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

10-36/38-36/37/38
[Safety Statements ]

26-36-36/37-37
[RIDADR ]

1224
[TSCA ]

Yes
[PackingGroup ]

III
[HS Code ]

29141900
Hazard InformationBack Directory
[Description]

6-Methyl-3,5-heptadien-2-one has a cinnamon-like odor with a coconut undertone. May be prepared by reacting 2-methylbuten- 2-al with acetone in the presence of sodium ethylate or sodium hydroxide; by pyrolysis of tertiary actylenic carbinyl acetoacetates in the presence of an acid catalyst.
[Chemical Properties]

6-Methyl-3,5-heptadine-2-one has a cinnamon-like odor with a coconut undertone
[Chemical Properties]

Clear colorless to light yellow liquid
[Occurrence]

Reported as occurring in the oil of lavandin, grapes, tomato and tomato paste, green tea, filberts, cooked rice and rice bran, licorice, corn oil and lemon balm
[Uses]

6-Methyl-3,5-heptadien-2-one is used in the preparation of (RS)-(E)-2,6-dimethyl-1,2-epoxy-3,5-heptadiene.
[Preparation]

By reacting 2-methylbuten-2-al with acetone in the presence of sodium ethylate or sodium hydroxide; by pyrolysis of tertiary acetylenic carbinyl acetoacetates in the presence of an acid catalyst.
[Aroma threshold values]

Detection: 375 ppb
[Taste threshold values]

Taste characteristics at 30 ppm: green and sweet with a brown, herbal aftertaste.
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