2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Synonym(s):2,6,6-Trimethyl-2-cyclohexene-1,4-dione;4-Oxoisophorone;Ketoisophorone
- CAS NO.:1125-21-9
- Empirical Formula: C9H12O2
- Molecular Weight: 152.19
- MDL number: MFCD00043119
- EINECS: 214-406-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-18 05:12:15
What is 2,6,6-Trimethyl-2-cyclohexene-1,4-dione?
Chemical properties
clear yellow to orange liquid or low melting solid
Chemical properties
2,6,6,-Trimethylcyclohex-2-ene-1,4-dione has a woody, musty sweet aroma.
Occurrence
Reported found among the volatile components in saffron and in cigarette smoke. Also reported found in saffron, cognac, black tea, green tea, microbial fermented tea, lemon balm, cooked shrimp, roasted shrimp, corn oil and lamb’s lettuce.
The Uses of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
4-Oxoisophorone is one of the major components of saffron (Crocus sativus L.) and also found to be a product of degradation of carotenoids in paprika, tomato and marigold oleoresins.
Definition
ChEBI: 2,6,6-Trimethyl-2-cyclohexene-1,4-dione is a member of cyclohexenones.
General Description
2,6,6-Trimethyl-2-cyclohexene-1,4-dione is also known as 4-ketoisophorone and is the major component of saffron spice. It is a cyclic olefin and was reported as a product of the thermal degradation of β-carotene in aqueous suspension.
Properties of 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Melting point: | 26-28 °C (lit.) |
Boiling point: | 222 °C (lit.)
92-94 °C/11 mmHg (lit.) |
Density | 1.03 |
FEMA | 3421 | 2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1,4-DIONE |
refractive index | n |
Flash point: | 201 °F |
storage temp. | Sealed in dry,2-8°C |
solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
form | neat |
form | Liquid |
color | Pale Yellow to Yellow Oil to Low-Melting |
Odor | at 1.00 % in dipropylene glycol. musty woody sweet tea tobacco leaf |
JECFA Number | 1857 |
BRN | 2207030 |
CAS DataBase Reference | 1125-21-9(CAS DataBase Reference) |
NIST Chemistry Reference | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione(1125-21-9) |
EPA Substance Registry System | 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl- (1125-21-9) |
Safety information for 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H317:Sensitisation, Skin |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
Computed Descriptors for 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
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