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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

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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
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
Arvind Rajendran et al.
Journal of chromatography. A, 1092(1), 55-64 (2005-09-29)
The enantioseparation of 1-phenyl-1-propanol through the supercritical fluid-simulated moving bed (SF-SMB) process is studied. Non-linear isotherms were measured on an analytical column, and used together with the triangle theory for SMB design to select operating conditions for the SF-SMB. Experiments
Pieter Saveyn et al.
Langmuir : the ACS journal of surfaces and colloids, 25(19), 11322-11327 (2009-09-03)
The influence of the physicochemical properties of the vesicular bilayer on the sorption of poorly water soluble compounds was investigated with pulsed field gradient 1H nuclear magnetic resonance (PFG-NMR) for the case of phosphatidylcholine and dioctadecyldimethylammonium bromide (DODAB), using 4-ethylbenzyl
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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