2,6,6-Trimethyl-2-cyclohexene-1,4-dione Chemical Properties

Melting point:

26-28 °C (lit.)

Boiling point:

222 °C (lit.) 92-94 °C/11 mmHg (lit.)

Density 

1.03

refractive index 

n20/D 1.491(lit.)

FEMA 

3421 | 2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1,4-DIONE

Flash point:

201 °F

storage temp. 

Sealed in dry,2-8°C

solubility 

Chloroform (Slightly), Ethyl Acetate (Slightly)

color 

Pale Yellow to Yellow

Odor

at 1.00 % in dipropylene glycol. musty woody sweet tea tobacco leaf

Odor Type

musty

JECFA Number

1857

BRN 

2207030

LogP

0.76

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

Hazard Codes 

Xn,Xi

Risk Statements 

22-43-36/37/38

Safety Statements 

26-36/37-37/39-24/25

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

HS Code 

29142900

MSDS

• Language:English Provider:2,6,6-Trimethyl-2-cyclohexene-1,4-dione
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2,6,6-Trimethyl-2-cyclohexene-1,4-dione Usage And Synthesis

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.

Uses

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.

2,6,6-Trimethyl-2-cyclohexene-1,4-dione(1125-21-9)Related Product Information

• Damascenone
• Norandrostenedione
• 4'-(Trifluoromethyl)acetophenone
• 2-Cyclohexen-1-one
• Acetone oxime
• Cyclohexene
• Trimethyl borate
• Isophorone
• 3,5-Dimethyl-2-cyclohexen-1-one
• 2-ETHYLFENCHOL
• 2-ETHYLFENCHOL
• 2-METHYL-2-CYCLOHEXEN-1-ONE
• 2,5-HEPTANEDIONE
• 2-Cyclohexene-1,4-dione
• 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
• 2-Methoxy-3,5,5-trimethyl-2-cyclohexene-1,4-dione
• (6E)-6-(2H-1-Benzopyran-2-ylidene)-5-methoxy-2,2,4-trimethyl-4-cyclohexene-1,3-dione