2-Phenyl-1,2-propanediol

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Molecular Formula:

C9H12O2

Molecular Weight:

152.19

CAS Number:

4217-66-7

Catalog Number:

4217-66-7

Product Information

Molecular Formula:

C9H12O2

Molecular Weight:

152.19

Description

2-phenyl-1,2-propanediol is a glycol that is cumene carrying two hydroxy substituents at positions 1 and 2 It is a glycol and a member of benzenes. It derives from a hydride of a cumene.

Synonyms

2-Phenyl-1,2-propanediol; 2-phenylpropane-1,2-diol; 4217-66-7; 1,2-Propanediol,2-phenyl-; 2-phenyl-propane-1,2-diol; dl-2-Phenyl-1,2-propanediol

IUPAC Name

2-phenylpropane-1,2-diol

Canonical SMILES

CC(CO)(C1=CC=CC=C1)O

InChI

InChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3

InChI Key

LNCZPZFNQQFXPT-UHFFFAOYSA-N

Boiling Point

160-162ºC (26 mmHg)

Melting Point

44-45ºC

Flash Point

Not applicable

Purity

95%

Density

1.13g/cm3

Computed Properties

XLogP3

0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

152.083729621 g/mol

Monoisotopic Mass

152.083729621 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

119

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-Phenyl-1,2-propanediol

Product Information

Computed Properties

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