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

Modify Date: 2024-01-31 15:52:04

3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one Structure
3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one structure
 Common Name 3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one
CAS Number 96863-70-6 Molecular Weight 284.35000
Density 1.121g/cm3 Boiling Point 445.7ºC at 760mmHg
Molecular Formula C18H20O3 Melting Point N/A
MSDS N/A Flash Point 159.5ºC

 Names

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

4-Methoxybenzaldehyde structure

4-Methoxybenzal...

CAS#:123-11-5

Isobutyrophenone structure

Isobutyrophenone

CAS#:611-70-1

~92%

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

3-hydroxy-3-(4-...

CAS#:96863-70-6

Literature: Harrison, Charles R. Tetrahedron Letters, 1987 , vol. 28, # 36 p. 4135 - 4138
α-Bromoisobutyrophenone structure

α-Bromoisobutyr...

CAS#:10409-54-8

4-Methoxybenzaldehyde structure

4-Methoxybenzal...

CAS#:123-11-5

~64%

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

3-hydroxy-3-(4-...

CAS#:96863-70-6

Literature: Saitkulova, F. G.; Lapkin, I. I.; Prokhorova, T. S.; Abashev, G. G.; Demakov, V. A.; et al. Pharmaceutical Chemistry Journal, 1985 , vol. 19, # 1 p. 41 - 43 Khimiko-Farmatsevticheskii Zhurnal, 1985 , vol. 19, # 1 p. 51 - 53

 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%
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Chemsrc provides CAS#:96863-70-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one>> amp version: 3-hydroxy-3-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropan-1-one

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