Dimedone

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Names

[ CAS No. ]:
126-81-8

[ Name ]:
Dimedone

[Synonym ]:
Dimedone
1,1-Dimethyl-3,5-diketocyclohexane
cyclohexane-1,3-dione, 5,5-dimethyl-
1,1-Dimethyl-3,5-cyclohexanedione
Methone
Dimedone,Methone
Dimethyldihydroresorcinol
5,5-Dimethylcyclohexane-1,3-dione
MFCD00001588
1,3-Cyclohexanedione, 5,5-dimethyl-
5,5-Dimethyldihydroresorcinol
5,5-Dimethyl-1,3-cyclohexanedione
EINECS 204-804-4

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
233.7±23.0 °C at 760 mmHg

[ Melting Point ]:
146-148 °C(lit.)

[ Molecular Formula ]:
C8H12O2

[ Molecular Weight ]:
140.18

[ Flash Point ]:
85.1±19.6 °C

[ Exact Mass ]:
140.083725

[ PSA ]:
34.14000

[ LogP ]:
0.15

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.453

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable, but may be light sensitive. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
0.416 g/100 mL (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV0345000
CHEMICAL NAME :
1,3-Cyclohexanedione, 5,5-dimethyl-
CAS REGISTRY NUMBER :
126-81-8
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H12-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,28,1953

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
GV0345000

[ HS Code ]:
29142900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-
  • 3-allyloxy-5,5-dimethyl-cyclohex-2-enone
  • 5,5-dimethyl-3-(prop-2-ynyloxy)cyclohex-2-enone
  • 5,5-dimethyl-3-((3-methylcyclohexyl)oxy)cyclohex-2-en-1-one
  • 3-methoxy-5,5-dimethylcyclohex-2-en-1-one
  • 2-diazo-3-hydroxy-5,5-dimethylcyclohexan-1-one
  • 3-amino-5,5-dimethylcyclohex-2-ene-1-thione
  • 3-(dimethylamino)-5,5-dimethylcyclohex-2-ene-1-thione

DownStream

  • 4,4-dimethyl-7,8-diphenylbicyclo[5.2.0]nonane-2,6,9-trione
  • ethyl 2-(5,5-dimethylcyclohex-2-en-1-yl)acetate
  • 3-(4-bromoanilino)-5,5-dimethylcyclohex-2-en-1-one
  • 2-(5,5-dimethylcyclohex-2-en-1-yl)ethanol,4-methylbenzenesulfonic acid
  • 1,1,3-TRIMETHYLCYCLOHEXANE
  • ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
  • Benzamide
  • 8,8-dimethyl-3-phenyl-4-oxa-1-thia-2-azaspiro[4.5]dec-2-ene-6,10-dione
  • 5,5-Dimethyl-1,3-cyclohexanedione formaldehyde deriv
  • Cyclohexanone

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%

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Related Compounds

  • dimethyl dimedone
  • dimedone sodium salt
  • retinylidene dimedone
  • 4-(2-pyridyl)dimedone
  • 2-(3'-Indolyl)-dimedone
  • 2ω-carboethoxyacetonyl dimedone
  • 4-[(2-Methylphenyl)methyl]morpholine-2-carbonitrile
  • (3E)-1-Benzyl-3-(hydroxymethylene)piperidin-4-one
  • 5-Pentafluoroethyl-3H-pyridin-2-one
  • 3,5-Dichloro-2-methoxy-1,1'-biphenyl
  • [(6-Piperazin-1-ylpyridin-3-yl)methyl]amine trihydrochloride
  • 2-((Piperidin-3-ylmethyl)sulfinyl)pyridine hydrochloride
  • 2-((Piperidin-3-ylmethyl)sulfinyl)thiazole hydrochloride
  • 2-(((Piperidin-3-ylmethyl)sulfinyl)methyl)pyridine hydrochloride
  • 3-(((Piperidin-3-ylmethyl)sulfinyl)methyl)pyridine hydrochloride
  • 4-cyano-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide hydrochloride
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