1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone

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Names

[ CAS No. ]:
67239-25-2

[ Name ]:
1-(3,4-Dihydroxyphenyl)-3-methyl-1-butanone

[Synonym ]:
3',4'-Dihydroxyisovalerophenone
ISOVALEROPHENONE,3',4'-DIHYDROXY
Isovalerophenone,4'-dihydroxy

Chemical & Physical Properties

[ Density]:
1.158

[ Boiling Point ]:
381ºC at 760 mmHg

[ Molecular Formula ]:
C11H14O3

[ Molecular Weight ]:
194.22700

[ Flash Point ]:
198.4ºC

[ Exact Mass ]:
194.09400

[ PSA ]:
57.53000

[ LogP ]:
2.32660

[ Index of Refraction ]:
1.555

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1800000
CHEMICAL NAME :
Isovalerophenone, 3',4'-dihydroxy-
CAS REGISTRY NUMBER :
67239-25-2
BEILSTEIN REFERENCE NO. :
3255844
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O3
MOLECULAR WEIGHT :
194.25
WISWESSER LINE NOTATION :
QR BQ DV1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2-Benzenediol
  • 3-Methylbutanoyl chloride

DownStream

Related Compounds

  • 2-Amino-1-[3,4-dihydro-2(1H)-isoquinolinyl]-3-methyl-1-butanone hydrochloride
  • 1-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-butanone
  • 1-Butanone,1-(3-ethyl-2,4-dihydroxyphenyl)-3-methyl-(9CI)
  • (S)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
  • (R)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
  • 2-amino-1-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-methyl-1-butanone hydrochloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-[2-(3,5-Dimethylpyrazolidin-4-yl)ethyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide