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HomeProduct name list2,6,6-Trimethyl-2-cyclohexene-1,4-dione

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
2,6,6-Trimethyl-2-cyclohexene-1,4-dione Structural

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  n20/D 1.491(lit.)
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)
ghs
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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