3-Phenyl-2-propanol

• CAS: 122-97-4
• Catalog Number: ACM122974
• Category: Other Products
• Molecular Weight: 136.194g/mol
• Molecular Formula: C9H12O
• Synonyms: CHEMBL1606391; Z1871936709; Alverine Citrate Impurity B; 36725-EP2311801A1; NCGC00165987-02; PubChem15023; TR-003650; AC-14708; MFCD00002950; Phenylpropyl alcohol
• IUPAC Name: 3-phenylpropan-1-ol
• Canonical SMILES: C1=CC=C(C=C1)CCCO
• InChI: InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
• InChI Key: VAJVDSVGBWFCLW-UHFFFAOYSA-N
• Melting Point: <-18 deg C;<-18°C
• Density: 0.995 g/cu cm at 25 deg C
• Solubility: 0.04 M;In water, 5,680 mg/L at 25 deg C;Soluble in carbon tetrachloride; miscible with ethanol, ether;Soluble in fixed oils, propylene glycol; insoluble in glycerin;5.68 mg/mL at 25 °C
• Color/Form: Colorless liquid;Slightly viscous, colorless liquid
• Complexity: 74.8
• Covalently-Bonded Unit Count: 1
• EC Number: 204-587-6
• Exact Mass: 136.089g/mol
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 10
• Monoisotopic Mass: 136.089g/mol
• NSC Number: 16942
• Octanol Water Partition Coefficient: 1.88 (LogP);log Kow = 1.88;1.88
• Odor: Floral odor;Blossomy-balsamic odor, slightly reminiscent of hyacinths;Sweet, hyacinth-mignonette odor
• Other Experimental: Density: 1.008 at 20/4 deg C; Boiling point: 237.5 deg C at 100 kPa;Boiling point: 508.2 - 515.15 deg K; boiling point: 119 deg C at 12 mm Hg;Henry's Law constant: <5.6X10-8 atm-cu m/mole at 25 deg C;Hydroxyl radical reaction rate constant = 1.2X10-11 cu cm/molec-sec at 25 deg C (est)
• Physical Description: Liquid;Liquid
• Rotatable Bond Count: 3
• Stability: Stable under recommended storage conditions.
• Topological Polar Surface Area: 20.2A^2
• UNII: U04IC2765C
• Vapor Pressure: 0.02 mmHg;0.0234 mm Hg at 25 deg C (extrapolated from higher temperatures)