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

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Names

[ CAS No. ]:
1125-21-9

[ Name ]:
2,6,6-Trimethyl-2-cyclohexene-1,4-dione

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,5,5-trimethylcyclohex-3-en-1-one
  • Isophorone
  • (S)-4-hydroxy-3,5,5-trimethyl-4-(tosylmethyl)cyclohex-2-en-1-one
  • alpha-Ionone
  • 4-hydroxyisophorone
  • Vomifoliol

DownStream

  • 2,2,6-trimethylcyclohexanone
  • 7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
  • 2,2,6-Trimethyl-1,4-cyclohexanedione
  • 2,6,6-TRIMETHYL-2,4-CYCLOHEXADIENONE
  • 1,4-Benzenediol,2,3,5-trimethyl-, 1,4-diacetate

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%

Articles

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...


More Articles

Related Compounds

  • 2,6,6-TRIMETHYL-2-CYCLOHEXENE-1,4-DIONE
  • 2,6,6-Trichloro-3,5,5-trimethyl-2-cyclohexene-1,4-dione
  • 2,6,6-trimethyl-2-cyclohexene-1-acetonitrile
  • 2,6,6-Trichloro-3-chloromethyl-5,5-dimethyl-2-cyclohexene-1,4-dione
  • 5-Hydroxy-2,6,6-trimethyl-2-cyclohexene-1-methanol
  • (+/-)-trans-2,6,6-trimethyl-2-cyclohexen-1,4-diol
  • 2-Amino-5-chloro-6-methylnicotinic acid
  • 1-Methyl-5-fluoro-7-bromoindole
  • 5,7-dichloro-3-cyclopropyl-Pyrazolo[1,5-a]pyrimidine
  • 3-Buten-1-ol, 4-(3,4,5-trimethoxyphenyl)-, (E)-
  • Ethyl aminomalonate hydrochloride
  • 2-(6-Bromo-2,3-difluorophenyl)ethan-1-OL
  • 3,4-Difluoro-2-(2-hydroxyethyl)benzenesulfonic acid
  • 2,3-Difluoro-6-iodo-phenylacetaldehyde
  • 2,3-Difluoro-6-amino-phenylacetaldehyde
  • Ethyl 2-(3,4-dichlorophenylamino)-nicotinate
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