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Substance Name: 1,1,1-Tris(hydroxymethyl)ethane
RN: 77-85-0
UNII: 5D10NYN23W
InChIKey: QXJQHYBHAIHNGG-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-O3

Molecular Weight

  • 120.147
 
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Names and Synonyms

Name of Substance

  • 1,1,1-Tris(hydroxymethyl)ethane

Synonyms

  • 1,1,1-Trimethanolethane
  • 1,1,1-Trimethylolethane
  • 1,1,1-Tris(hydroxymethyl)ethane
  • 1,1,1-Tris(methylol)ethane
  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-
  • CCRIS 8975
  • EINECS 201-063-9
  • Ethane, 1,1,1-tris(hydroxymethyl)-
  • HSDB 5217
  • Methriol
  • Methyltrimethanolmethane
  • Methyltrimethylolmethane
  • Metriol
  • NSC 65581
  • Pentaglycerine
  • Pentaglycerol
  • Trimet
  • Trimethylolethane
  • Tris(hydroxymethyl)ethane
  • UNII-5D10NYN23W

Systematic Names

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-
  • Ethylidynetrimethanol

Superlist Name

  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 77-85-0

FDA UNII

  • 5D10NYN23W

System Generated Number

  • 0000077850

Structure Descriptors

InChI

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

InChIKey

QXJQHYBHAIHNGG-UHFFFAOYSA-N

Smiles

C(CO)(CO)(CO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 7500mg/kg (7500mg/kg)   National Technical Information Service. Vol. OTS0555808,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 204 deg C   EXP
Boiling Point 283 deg C   EXP
log P (octanol-water) -0.300 (none)   EST
Atmospheric OH Rate Constant 1.27E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.