Product Name
1,1,1-Tris(hydroxymethyl)ethane
IUPAC Name
2-(hydroxymethyl)-2-methylpropane-1,3-diol
Molecular Weight
120.15g/mol
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
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
Covalently-Bonded Unit Count
1
Exact Mass
120.078644g/mol
Log P
log Kow = -0.30 (est)
MeSH Entry Terms
1,1,1-tris(hydroxymethyl)ethane
Monoisotopic Mass
120.078644g/mol
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)
Vapor Pressure
1.7X10-6 mm Hg at 25 °C (est)