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;
Molecular Weight
136.194g/mol
Molecular Formula
C9H12O;
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
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);
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);
