1-Phenyl-2-propanol

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Names

[ CAS No. ]:
698-87-3

[ Name ]:
1-Phenyl-2-propanol

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Oxirane,2-(phenylmethyl)-
1-PHENYL-1,2-EPOXYPROPANE
Allylbenzene
Phenylacetone
(1R,2R)-trans-2-(tertbutoxycarbonylamino)cyclopentanol
Bromobenzene
epoxypropane
(S)-1-PHENYLPROPAN-2-OL
Benzene,(1E)-1-propen-1-yl-

DownStream

Benzene,(2-chloropropyl)-
DPC
Methylbenzylalcohol
Phenylacetone
2-Methyl-indanone
Allylbenzene
β-Methylstyrene
Indane
Toluene
Diphenethylamine, alpha-methyl-

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%

Articles

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/...