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Merck
CN

111309

1-Phenyl-1-propanol

≥97%

Synonym(s):

α-Ethylbenzyl alcohol, (±)-1-Phenylpropanol

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About This Item

Linear Formula:
C2H5CH(C6H5)OH
CAS Number:
93-54-9
Molecular Weight:
136.19
NACRES:
NA.22
PubChem Substance ID:
24847022
eCl@ss:
39023126
UNSPSC Code:
12352100
EC Number:
202-256-0
MDL number:
MFCD00004564
Beilstein/REAXYS Number:
1906759

Key Documents

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Product Name

1-Phenyl-1-propanol, ≥97%

InChI key

DYUQAZSOFZSPHD-UHFFFAOYSA-N

InChI

1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

SMILES string

CCC(O)c1ccccc1

assay

≥97%

refractive index

n20/D 1.52 (lit.)

bp

103 °C/14 mmHg (lit.)

density

0.994 g/mL at 25 °C (lit.)

functional group

hydroxyl
phenyl

Quality Level

100

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General description

1-Phenyl-1-propanol enantiomers (E-PP) forms the inclusion complexes of cyclic decapeptide (CDP) which were studied using the density functional theory (DFT) B3LYP method. It was also used to determine the mass transfer kinetics effect on the elution profiles of the 1-phenyl-1-propanol (PP) enantiomers on Chiracel OB (cellulose tribenzoate coated on silica gel).

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR9220
SHBP1868
SHBQ1173
SHBN9218
SHBM1743

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Hongge Zhao et al.
Journal of molecular modeling, 18(3), 851-858 (2011-06-01)
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 firstly studied using the density functional theory (DFT) B3LYP method. Our calculated results
Stefan Ottiger et al.
Journal of chromatography. A, 1162(1), 74-82 (2007-02-17)
The separation of the enantiomers of 1-phenyl-1-propanol by supercritical fluid chromatography on a chiral stationary phase, which consists of cellulose tris (3,5-dimethylphenylcarbamate) coated on a silica support (Chiralcel-OD), is studied under overloaded, non-linear chromatographic conditions. Pulse experiments are performed at
Alberto Cavazzini et al.
Journal of chromatography. A, 953(1-2), 55-66 (2002-06-13)
Using competitive frontal analysis, the binary adsorption isotherms of the enantiomers of 1-phenyl-l-propanol were measured on a microbore column packed with a chiral stationary phase based on cellulose tribenzoate. These measurements were carried out using only the racemic mixture. The
S Khattabi et al.
Journal of chromatography. A, 877(1-2), 95-107 (2000-06-14)
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 several competitive bi-Langmuir models (with 8, 6, 5 and 4 parameters) and to the competitive
S Khattabi et al.
Journal of chromatography. A, 893(2), 307-319 (2000-11-10)
Approximately optimum operating conditions needed to separate 1-phenyl-1-propanol (PP) enantiomers by simulated moving bed (SMB) were determined using the "safety margin" approach in the linear case and the "triangle theory" in the nonlinear case. Previous results showed the adsorption isotherm
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