1,4-Benzenedimethanol

Inquiry

Molecular Formula:

C8H10O2

Molecular Weight:

138.16

CAS Number:

589-29-7

Catalog Number:

589-29-7

Product Information

Molecular Formula:

C8H10O2

Molecular Weight:

138.16

Description

1,4-Benzenedimethanol (CAS# 589-29-7) is a compound useful in organic synthesis.

Synonyms

[4-(hydroxymethyl)phenyl]methanol

IUPAC Name

[4-(hydroxymethyl)phenyl]methanol

Canonical SMILES

C1=CC(=CC=C1CO)CO

InChI

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

InChI Key

BWVAOONFBYYRHY-UHFFFAOYSA-N

Boiling Point

138-143 °C (1 mmHg)

Melting Point

116-119 °C

Flash Point

138-143°C/1mm

Purity

95 %

Density

1.0742 (rou gh estimate)

Appearance

White to off-white crystalline powder.

Storage

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Refractive Index

1.5090 (estimate)

LogP

0.67120

Safety Information

Precautionary Statement

P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501

Signal Word

Warning

Computed Properties

XLogP3

0.3

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

73.3

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)

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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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Concentration _(final)

Volume _(final)

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1,4-Benzenedimethanol

Product Information

Safety Information

Computed Properties

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