1,2-Benzenedimethanol

Inquiry

Molecular Formula:

C8H10O2

Molecular Weight:

138.16

CAS Number:

612-14-6

Catalog Number:

612-14-6

Product Information

Molecular Formula:

C8H10O2

Molecular Weight:

138.16

Description

1,2-Benzenedimethanol (CAS# 612-14-6) is a useful research chemical.

Synonyms

[2-(hydroxymethyl)phenyl]methanol; [2-(hydroxymethyl)phenyl]methanol

IUPAC Name

[2-(hydroxymethyl)phenyl]methanol

Canonical SMILES

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

InChI

InChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2

InChI Key

XMUZQOKACOLCSS-UHFFFAOYSA-N

Boiling Point

145 °C / 3 mmHg

Melting Point

63-65 °C (lit.)

Purity

> 98.0 % (GC)

Density

1.0742 (rou gh estimate)

Appearance

White to light yellow powder to crystal

Storage

Store below +30 °C.

Refractive Index

1.5590 (estimate)

LogP

0.67120

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

0.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

138.068079557 g/mol

Monoisotopic Mass

138.068079557 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

81.3

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)

Mass

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Volume

Molecular Weight *

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

1,2-Benzenedimethanol

Product Information

Safety Information

Computed Properties

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