1,6-Hexanediol - Materials / Alfa Chemistry

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1,6-Hexanediol

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Catalog Number

ACMA00016764

Product Name

1,6-Hexanediol

Category

Polymers

Description

Liquid; OtherSolid; PelletsLargeCrystals;COLOURLESS CRYSTALS.

IUPAC Name

hexane-1,6-diol

Molecular Weight

118.17g/mol

Molecular Formula

C6H14O2;HO(CH2)6OH;C6H14O2;C6H14O2

Canonical SMILES

C(CCCO)CCO

InChI

InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

InChI Key

XXMIOPMDWAUFGU-UHFFFAOYSA-N

Boiling Point

250.0 °C;208 °C;208 °C

Melting Point

45.0 °C;41.5 °C;42.8 °C

Flash Point

102 °C (216 °F) - closed cup;101 °C

Density

0.967 g/cu cm at 25 °C;0.96 g/cm³

Solubility

In water, 2.0X10+5 mg/L at 25 °C (est);Soluble in water;Soluble in alcohol; sparingly soluble in hot ether.;Solubility in water: good

Color/Form

Crystalline needles

Complexity

31.5

Covalently-Bonded Unit Count

EC Number

211-074-0;259-540-2

Exact Mass

118.09938g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0491

Log P

log Kow = 0.76 at 25 °C (est);-0.11

MeSH Entry Terms

1,6-hexanediol;hexamethylene glycol;hexamethyleneglycol

Monoisotopic Mass

118.09938g/mol

NSC Number

508

Other Experimental

Can react with oxidizing materials.;Density: 0.953 g/cm cu at 50 °C;Henry's Law constant = 2.2X10-10 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.4X10-11 cu cm/molecule-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.4579 at 25 °C

Rotatable Bond Count

RTECS Number

MO2100000

Stability

Stable under recommended storage conditions.

UNII

ZIA319275I

Vapor Density

4.07 (Air = 1);Relative vapor density (air = 1): 4.1

Vapor Pressure