CAS 1125-21-9|2,6,6-Trimethyl-2-cyclohexene-1,4-dione

Introduction：Basic information about CAS 1125-21-9|2,6,6-Trimethyl-2-cyclohexene-1,4-dione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Customs
6. Articles9
7. Synonyms

Common Name	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
CAS Number	1125-21-9	Molecular Weight	152.190
Density	1.0±0.1 g/cm3	Boiling Point	214.2±0.0 °C at 760 mmHg
Molecular Formula	C₉H₁₂O₂	Melting Point	26-28 °C(lit.)
MSDS	ChineseUSA	Flash Point	96.1±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Synonym	More Synonyms

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

Description	Ketoisophorone (4-Oxoisophorone) is a key intermediate in the synthesis of carotenoids and flavouring agents. Ketoisophorone is an industrially important cyclic endione[1].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. Hegazy ME, et al. Ketoisophorone transformation by Marchantia polymorpha and Nicotiana tabacum cultured cells. Z Naturforsch C. 2008 May-Jun;63(5-6):403-8.

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	214.2±0.0 °C at 760 mmHg
Melting Point	26-28 °C(lit.)
Molecular Formula	C₉H₁₂O₂
Molecular Weight	152.190
Flash Point	96.1±0.0 °C
Exact Mass	152.083725
PSA	34.14000
LogP	0.76
Vapour Pressure	0.2±0.4 mmHg at 25°C
Index of Refraction	1.469
InChIKey	AYJXHIDNNLJQDT-UHFFFAOYSA-N
SMILES	CC1=CC(=O)CC(C)(C)C1=O

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H317
Precautionary Statements	P280
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S26-S36/37-S37/39
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
HS Code	29142900

Customs

HS Code	2914299000
Summary	2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles9

Engineering towards nitroreductase functionality in ene-reductase scaffolds.

ChemBioChem. 16(5) , 811-8, (2015)

Nitroreductases (NRs) and ene-reductases (ERs) both utilize flavin mononucleotide cofactors but catalyze distinct reactions. NRs reduce nitroaromatics, whereas ERs reduce unsaturated C=C double bonds,...

Bioreduction of α,β-unsaturated ketones and aldehydes by non-conventional yeast (NCY) whole-cells.

Bioresour. Technol. 102(5) , 3993-8, (2011)

The bioreduction of α,β-unsaturated ketones (ketoisophorone, 2-methyl- and 3-methyl-cyclopentenone) and aldehydes [(S)-(-)-perillaldehyde and α-methyl-cinnamaldehyde] by 23 "non-conventional" yeasts (...

An engineered old yellow enzyme that enables efficient synthesis of (4R,6R)-Actinol in a one-pot reduction system.

ChemBioChem. 16(3) , 440-5, (2015)

(4R,6R)-Actinol can be stereo-selectively synthesized from ketoisophorone by a two-step conversion using a mixture of two enzymes: Candida macedoniensis old yellow enzyme (CmOYE) and Corynebacterium a...

Synonyms

2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-

2,6,6-Trimethyl-2-cyclohexen-1,4-dione

4-Oxoisophorone,Ketoisophorone

EINECS 214-406-2

2,6,6-trimethylcyclohex-2-ene-1,4-dione

MFCD00043119

4-Oxoisophorone

4-Ketoisophorone

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

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