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
• 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
• Assay: ≥97%

Properties

• Quality Segment: 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[1]. 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)[2].

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: 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