111309
1-Phenyl-1-propanol
≥97%
Synonym(s):
α-Ethylbenzyl alcohol, (±)-1-Phenylpropanol
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About This Item
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Quality Level
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
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).
Signal Word
Warning
Hazard Statements
Precautionary Statements
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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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
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
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
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]
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
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