CAS 2935-44-6 2,5-Hexanediol - Materials / Alfa Chemistry

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2,5-Hexanediol

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Catalog Number

ACM2935446

CAS Number

2935-44-6

Product Name

2,5-Hexanediol

Structure

Category

Monomers

Synonyms

Diisopropanol

Description

COLOURLESS LIQUID.

IUPAC Name

hexane-2,5-diol

Molecular Weight

118.17

Molecular Formula

C6H14O2

Canonical SMILES

CC(CCC(C)O)O

InChI

InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3

InChI Key

OHMBHFSEKCCCBW-UHFFFAOYSA-N

Boiling Point

216 °C

Melting Point

43 °C

Flash Point

101 °C

Purity

98%

Density

Relative density (water = 1): 0.97

Solubility

Solubility in water: freely soluble

Complexity

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

220-910-3

Exact Mass

118.0993

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

0280

Isotope Atom Count

Log P

0.62 (estimated)

MeSH Entry Terms

2,5-hexanediol

Monoisotopic Mass

118.0993

NSC Number

3699

Refractive Index

1.447

Rotatable Bond Count

RTECS Number

MO2275000

Topological Polar Surface Area

40.5 Å²

Vapor Density

Relative vapor density (air = 1): 4.1

XLogP3

0.4

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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