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111309

Sigma-Aldrich

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
Beilstein:
1906759
EC Number:
202-256-0
MDL number:
MFCD00004564
UNSPSC Code:
12352100
eCl@ss:
39023126
PubChem Substance ID:
24847022
NACRES:
NA.22

Assay

≥97%

refractive index

n20/D 1.52 (lit.)

bp

103 °C/14 mmHg (lit.)

density

0.994 g/mL at 25 °C (lit.)

SMILES string

CCC(O)c1ccccc1

InChI

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

InChI key

DYUQAZSOFZSPHD-UHFFFAOYSA-N

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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

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

194.0 °F - closed cup

Flash Point(C)

90 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
Arvind Rajendran et al.
Journal of chromatography. A, 1076(1-2), 183-188 (2005-06-25)
The supercritical fluid chromatography (SFC) separation of the enantiomers of 1-phenyl-1-propanol on the chiral stationary phase Chiralcel OD under linear conditions is studied. Supercritical CO2 modified with methanol is used as a mobile phase. The effect of modifier concentration, pressure
Anna M Costa et al.
Journal of the American Chemical Society, 124(24), 6929-6941 (2002-06-13)
The optimization of asymmetric catalysts for enantioselective synthesis has conventionally revolved around the synthesis and screening of enantiopure ligands. In contrast, we have optimized an asymmetric reaction by modification of a series of achiral ligands. Thus, employing (S)-3,3'-diphenyl BINOL [(S)-Ph(2)-BINOL]
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
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