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1,1,1-Tris(hydroxymethyl)ethane

Name: 1,1,1-Tris(hydroxymethyl)ethane
SKU: ACM77850
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Catalog NumberACM77850

CAS Number77-85-0

CategoryMonomers

Description

DryPowder

IUPAC Name

2-(hydroxymethyl)-2-methylpropane-1,3-diol

Molecular Weight

120.15g/mol

Molecular Formula

C5H12O3

Canonical SMILES

CC(CO)(CO)CO

InChI

InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3

InChI Key

QXJQHYBHAIHNGG-UHFFFAOYSA-N

Boiling Point

283.0 °C;283 °C

Melting Point

204.0 °C;204 °C

Purity

98+%

Density

1.210 g/cu cm at 20 °C

Solubility

Miscible in water and ethanol; insoluble in diethyl ether and benzene; very soluble in acetic acid;Soluble in water and ethanol;In water, 140 g per 100 g at 25 °C

Color/Form

White powder or needles from alcohol;Colorless crystals

Complexity

50.4

Covalently-Bonded Unit Count

EC Number

201-063-9

Exact Mass

120.078644g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = -0.30 (est)

MeSH Entry Terms

1,1,1-tris(hydroxymethyl)ethane

Monoisotopic Mass

120.078644g/mol

NSC Number

65581

Other Experimental

BP: 137 °C at 15 mm Hg;Hygroscopic;Henry's Law constant = 1.1X10-8 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.3X10-11 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

UNII

5D10NYN23W

Vapor Pressure

1.7X10-6 mm Hg at 25 °C (est)

XLogP3

-1.2

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