111309

1-Phenyl-1-propanol

≥97%

• Synonym(s): α-Ethylbenzyl alcohol, (±)-1-Phenylpropanol
• Linear Formula: C₂H₅CH(C₆H₅)OH
• CAS Number: 93-54-9
• Molecular Weight: 136.19
• Beilstein/REAXYS Number: 1906759
• EC Number: 202-256-0
• MDL number: MFCD00004564
• UNSPSC Code: 12352100
• eCl@ss: 39023126
• PubChem Substance ID: 24847022
• NACRES: NA.22

Properties

• Quality Level: 100
• 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

Description

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).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 10 - Combustible liquids
• wgk_germany: 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