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

Modify Date: 2025-10-28 12:09:40

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

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

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
InChIKey	JDXIMSAZKIQHCL-UHFFFAOYSA-N
SMILES	COc1ccc(C(O)C(C)(C)C(=O)c2ccccc2)cc1

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

HS Code	2914509090

4-Methoxybenzal...

CAS#:123-11-5

Isobutyrophenone

CAS#:611-70-1

~92%

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

CAS#:96863-70-6

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

α-Bromoisobutyr...

CAS#:10409-54-8

4-Methoxybenzal...

CAS#:123-11-5

~64%

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

Precursor 3
CAS#:123-11-5 4-Methoxybenzal... CAS#:611-70-1 Isobutyrophenone CAS#:10409-54-8 α-Bromoisobutyr...
DownStream 0

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.