3-Phenyl-2-propanol

CAS

122-97-4

Catalog Number

ACM122974

Category

Other Products

Molecular Weight

136.194g/mol

Molecular Formula

C9H12O;

MSDS COA Spec Sheet

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Specification

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

EC Number

204-587-6

Exact Mass

136.089g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

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

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);