2-BENZYLOXY-1,3-PROPANEDIOL

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Molecular Formula:

C10H14O3

Molecular Weight:

182.22

CAS Number:

14690-00-7

Catalog Number:

14690-00-7

Product Information

Molecular Formula:

C10H14O3

Molecular Weight:

182.22

Description

2-BENZYLOXY-1,3-PROPANEDIOL is an extraordinary biomedicine compound characterized by its multipurpose application. It is a commendable therapeutic agent for combating an extensive array of ailments, encompassing malignant neoplasms and cardiovascular afflictions. Exuding promising anti-neoplastic prowess, this compound has been proven to effectively impede the proliferation of malignant cells forming tumors. Furthermore, its remarkable vasoprotective attributes have rendered it a crucial asset within the realms of biomedicine.

Synonyms

GLYCEROL 2-BENZYL ETHER; 2-BENZYLOXY-1,3-PROPANEDIOL; 2-O-BENZYLGLYCEROL; 2-(benzyloxy)-3-propanediol; 2-(phenylmethoxy)-1,3-propanediol; 2-(phenylmethoxy)-3-propanediol

IUPAC Name

2-phenylmethoxypropane-1,3-diol

Canonical SMILES

C1=CC=C(C=C1)COC(CO)CO

InChI

InChI=1S/C10H14O3/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChI Key

UDIPIOHLDFSMLR-UHFFFAOYSA-N

Boiling Point

185-187ºC10 mm Hg(lit.)

Melting Point

38-40ºC(lit.)

Flash Point

>230 °F

Purity

95%

Density

1.16g/cm3

Appearance

White to Light yellow to Green powder to crystal

Storage

2-8ºC

Refractive Index

1.4880 (estimate)

Computed Properties

XLogP3

0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.094294304 g/mol

Monoisotopic Mass

182.094294304 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

117

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-BENZYLOXY-1,3-PROPANEDIOL

Product Information

Computed Properties

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