| Identification | More | [Name]
2,6,6-Trimethyl-2-cyclohexene-1,4-dione | [CAS]
1125-21-9 | [Synonyms]
2,6,6-TRIMETHYL-2-CYCLOHEXEN-1,4-DIONE
2,6,6-TRIMETHYL-2-CYCLOHEXENE-1,4-DIONE
2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1,4-DIONE
4-KETOISOPHORONE
4-OXOISOPHORON
4-OXOISOPHORONE
FEMA 3421
KETOISOPHORONE
OXOISOPHORONE
2,2,6-trimethyl-2-cyclohexene-1,4-dione (cetoisophorone)
2,2,6-trimethylcyclohex-2-en-1,4-dione (4-oxo-isophorone)
2,6,6-Trimethy-2-cyclohexene-1,4-dione (4-oxoisophorone)
2,6,6-trimethyl-2-cyclohexene-4-dione
2,6,6-trimethylcyclohex-
2,6,6-trimethylcyclohex-2-ene
2-Cyclohexen-1,4-dione, 2,6,6-trimethyl
2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-
3,5,5-trimethyl-2-cyclohexene-1,4-dione
3,5,5-Trimethylcyclohex-2-en-1,4-dione
3,5,5-trimethylcyclohex-2-ene-1,4-dione | [EINECS(EC#)]
214-406-2 | [Molecular Formula]
C9H12O2 | [MDL Number]
MFCD00043119 | [Molecular Weight]
152.19 | [MOL File]
1125-21-9.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow clear liquid or solid. | [Melting point ]
26-28 °C (lit.) | [Boiling point ]
222 °C (lit.)
92-94 °C/11 mmHg (lit.) | [density ]
1.03
| [FEMA ]
3421 | [refractive index ]
n20/D 1.491(lit.)
| [Fp ]
201 °F
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
neat | [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 | [Uses]
2,6,6-Trimethyl-2-cyclohexene-1,4-dione(1125-21-9) Use in flavors,specially in tea and tobacco fragrances.
| [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]
1125-21-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [HS Code ]
29142900 |
| Hazard Information | Back Directory | [Chemical Properties]
2,6,6,-Trimethylcyclohex-2-ene-1,4-dione has a woody, musty sweet aroma. | [Chemical Properties]
clear yellow to orange liquid or low melting solid | [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. | [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. |
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