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Substance Name: 1,1,1-Tris(hydroxymethyl)propane
RN: 77-99-6
UNII: 090GDF4HBD
InChIKey: ZJCCRDAZUWHFQH-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O3

Molecular Weight

  • 134.174
 
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Names and Synonyms

Name of Substance

  • 1,1,1-Tris(hydroxymethyl)propane
  • Trimethylolpropane

Synonyms

  • 1,1,1-Tri(hydroxymethyl)propane
  • 1,1,1-Trimethylolpropane
  • 1,1,1-Tris(hydroxymethyl)propane
  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
  • 2,2-Bis(hydroxymethyl)-1-butanol
  • 2-Ethyl-2-(hydroxymethyl)propanediol
  • 4-01-00-02786 (Beilstein Handbook Reference)
  • AI3-24124
  • BRN 1698309
  • EC 201-074-9
  • EINECS 201-074-9
  • Ethriol
  • Ethyltrimethylolmethane
  • Etriol
  • Ettriol
  • Hexaglycerine
  • Hexaglycerol
  • HSDB 5218
  • Methanol, (propanetriyl)tris-
  • NSC 3576
  • Propane, 1,1,1-tris(hydroxymethyl)-
  • TMP
  • TMP (alcohol)
  • TMP (VAN)
  • Tri(hydroxymethyl)propane
  • Trimethylolpropane
  • Tris(hydroxymethyl)propane
  • UNII-090GDF4HBD

Systematic Names

  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
  • 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol
  • Propylidynetrimethanol

Superlist Names

  • 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
  • Propanediol, 2-ethyl-2-(hydroxymethyl)-, 1,3-
  • Trimethylolpropane

Registry Numbers

CAS Registry Number

  • 77-99-6

FDA UNII

  • 090GDF4HBD

Other Registry Numbers

  • 101164-61-8
  • 102984-18-9
  • 110368-52-0
  • 30774-18-6
  • 51811-73-5
  • 53632-31-8
  • 59218-55-2
  • 65581-89-7
  • 69896-09-9
  • 77974-02-8
  • 853320-12-4
  • 97649-49-5

System Generated Number

  • 0000077996

Structure Descriptors

InChI

1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3

InChIKey

ZJCCRDAZUWHFQH-UHFFFAOYSA-N

Smiles

C(CC)(CO)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 13700mg/kg (13700mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Hygiene and Sanitation Vol. 32(5), Pg. 288, 1967.
rat LD50 oral 14100mg/kg (14100mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Hygiene and Sanitation Vol. 32(5), Pg. 288, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 58 deg C   EXP
Boiling Point 289 deg C   EXP
log P (octanol-water) -1.48E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L   EXP
Vapor Pressure 4.49E-05 mm Hg 25 EXP
Henry's Law Constant 7.93E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.38E-11 cm3/molecule-sec 25 EST

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