6-METHYL-3,5-HEPTADIEN-2-ONE

CAS NO.：1604-28-0
Empirical Formula: C8H12O
Molecular Weight: 124.18
MDL number: MFCD00043647
EINECS: 216-507-7
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-18 18:48:51

What is 6-METHYL-3,5-HEPTADIEN-2-ONE?

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

Clear colorless to light yellow liquid

Chemical properties

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

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

The Uses of 6-METHYL-3,5-HEPTADIEN-2-ONE

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.

Properties of 6-METHYL-3,5-HEPTADIEN-2-ONE

Boiling point:	95-96°C 20mm
Density	0,89 g/cm³
refractive index	1.5340
FEMA	3363 \| 6-METHYL-3,5-HEPTADIEN-2-ONE
Flash point:	95-96°C/20mm
Odor	at 1.00 % in dipropylene glycol. cinnamon coconut spice woody sweet weedy
Water Solubility	Miscible with alcohol. Immiscible with water.
JECFA Number	1134
BRN	1699937
EPA Substance Registry System	3,5-Heptadien-2-one, 6-methyl- (1604-28-0)

Safety information for 6-METHYL-3,5-HEPTADIEN-2-ONE

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H227:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.