3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one

Names

[ CAS No. ]:
96863-70-6

[ Name ]:
3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one

Chemical & Physical Properties

[ Density]:
1.121g/cm3

[ Boiling Point ]:
445.7ºC at 760mmHg

[ Molecular Formula ]:
C18H20O3

[ Molecular Weight ]:
284.35000

[ Flash Point ]:
159.5ºC

[ Exact Mass ]:
284.14100

[ PSA ]:
46.53000

[ LogP ]:
3.63770

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC1996000
CHEMICAL NAME :
1-Propanone, 2,2-dimethyl-3-hydroxy-3-(4-methoxyphenyl)-1-phenyl-
CAS REGISTRY NUMBER :
96863-70-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H20-O3
MOLECULAR WEIGHT :
284.38

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 :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,41,1985

Safety Information

[ HS Code ]:
2914509090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Methoxybenzaldehyde
  • Isobutyrophenone
  • α-Bromoisobutyrophenone

DownStream

Customs

[ HS Code ]: 2914509090

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • N-{[(2,4-difluorophenyl)methylidene]amino}guanidine
  • 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
  • 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