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: 2024-12-18 14:08:57
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. |
Computed Descriptors for 6-METHYL-3,5-HEPTADIEN-2-ONE
New Products
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