CAS 698-87-3|1-Phenyl-2-propanol

Introduction：Basic information about CAS 698-87-3|1-Phenyl-2-propanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles1
7. Synonyms

Common Name	1-Phenyl-2-propanol
CAS Number	698-87-3	Molecular Weight	136.191
Density	1.0±0.1 g/cm3	Boiling Point	220.0±0.0 °C at 760 mmHg
Molecular Formula	C₉H₁₂O	Melting Point	135-136ºC
MSDS	USA	Flash Point	85.0±0.0 °C

Names

Name	1-Phenyl-2-propanol
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	220.0±0.0 °C at 760 mmHg
Melting Point	135-136ºC
Molecular Formula	C₉H₁₂O
Molecular Weight	136.191
Flash Point	85.0±0.0 °C
Exact Mass	136.088821
PSA	20.23000
LogP	1.71
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.526
InChIKey	WYTRYIUQUDTGSX-UHFFFAOYSA-N
SMILES	CC(O)Cc1ccccc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SG8589500

CHEMICAL NAME :: Phenethyl alcohol, alpha-methyl-

CAS REGISTRY NUMBER :: 698-87-3

BEILSTEIN REFERENCE NO. :: 3195621

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

WISWESSER LINE NOTATION :: QY1&1R

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 :: 520 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia Behavioral - antipsychotic

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 60,799,1971

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Safety Phrases	S23-S24/25
RIDADR	NONH for all modes of transport
RTECS	SG8589500
HS Code	2906299090

Customs

HS Code	2906299090
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles1

Improved synthesis of (S)-1-phenyl-2-propanol in high concentration with coupled whole cells of Rhodococcus erythropolis and Bacillus subtilis on preparative scale.

Appl. Biochem. Biotechnol. 162(7) , 2075-86, (2010)

Bioreduction of 1-phenyl-2-propanone to prepare (S)-1-phenyl-2-propanol, a useful pharmaceutical intermediate, was performed with growing cells of Rhodococcus erythropolis JX-021, giving 14 mM (1.9 g/...

Synonyms

Phenethyl alcohol, α-methyl-

1-phenylpropan-2-ol

2-Hydroxy-1-phenylpropane

Benzyl methyl carbinol

Propan-2-ol, 1-phenyl-

QY1&1R

α-Methylphenethyl alcohol

Benzeneethanol, α-methyl-, (±)-

1-Phenyl-2-propanol

2-Propanol, 1-phenyl-

α-Methylbenzeneethanol

MFCD00004540

.α.-Methylphenethyl alcohol

Benzeneethanol, α-methyl-

Benzylethyl alcohol

EINECS 211-821-0

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