phenyl propanol

Names

[ CAS No. ]:
93-54-9

[ Name ]:
phenyl propanol

[Synonym ]:
1-phenylpropan-1-ol
1-phenylpropanol
α-ethylbenzyl alcohol
EINECS 202-256-0
Benzenemethanol, α-ethyl-
Ejibil
Choleda
Fepar
Fenicol
SH261
1-Phenyl-1-propanol
rac-1-phenyl-1-propanol
Unichol
phenyl propanol
Felicur
Livonal
1-phenylpropyl alcohol
Bilergon
MFCD00004564

Biological Activity

[Description]:

1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant drug Fluoxetine[1][2].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Soyer A, et al. Optimization of lipase-catalyzed enantioselective production of 1-phenyl 1-propanol using response surface methodology. Prep Biochem Biotechnol. 2010;40(4):389-404.

[2]. Xavier S, et al. NBO, conformational, NLO, HOMO-LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods. Spectrochim Acta A Mol Biomol Spectrosc. 2015;137:306-320.

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
219.0±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C₉H₁₂O

[ Molecular Weight ]:
136.191

[ Flash Point ]:
90.6±0.0 °C

[ Exact Mass ]:
136.088821

[ PSA ]:
20.23000

[ LogP ]:
1.91

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.525

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DO5470000

CHEMICAL NAME :: Benzyl alcohol, alpha-ethyl-

CAS REGISTRY NUMBER :: 93-54-9

BEILSTEIN REFERENCE NO. :: 1906759

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

WISWESSER LINE NOTATION :: QY2&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ RTECS ]:
DO5470000

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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

Purification and characterization of 2-aminoacetophenone reductase of newly isolated Burkholderia sp. YT.

J. Biosci. Bioeng. 104(5) , 416-9, (2007)

We found that a newly isolated Burkholderia sp. produced (R)-2-amino-1-phenylethanol from 2-aminoacetophenone, showing the high stereospecificity. NADPH-dependent 2-aminoacetophenone reductase purifie...

Study of the adsorption behavior of the enantiomers of 1-phenyl-1-propanol on a cellulose-based chiral stationary phase.

J. Chromatogr. A. 877(1-2) , 95-107, (2000)

Using single-step frontal analysis, we measured single-component and competitive adsorption isotherm data for the two enantiomers of 1-phenyl-1-propanol (PP). These experimental data were fitted to se...

Density functional theory studies on the inclusion complexes of cyclic decapeptide with 1-phenyl-1-propanol enantiomers.

J. Mol. Model. 18(3) , 851-8, (2012)

Cyclic peptides are exciting novel hosts for chiral and molecular recognition. In this work, the inclusion complexes of cyclic decapeptide (CDP) with the 1-phenyl-1-propanol enantiomers (E-PP) are fir...