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