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Substance Name: 1,2,6-Hexanetriol
RN: 106-69-4
UNII: W45XXM0XWE
InChIKey: ZWVMLYRJXORSEP-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H14-O3

Molecular Weight

  • 134.174
 
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Names and Synonyms

Name of Substance

  • 1,2,6-Hexanetriol

Synonyms

  • 1,2,6-Hexanetriol
  • 1,2,6-Trihydroxyhexane
  • 4-01-00-02784 (Beilstein Handbook Reference)
  • AI3-14311
  • BRN 1304479
  • EINECS 203-424-6
  • Hexanetriol-1,2,6
  • NSC 404957
  • UNII-W45XXM0XWE

Systematic Name

  • 1,2,6-Hexanetriol

Registry Numbers

CAS Registry Number

  • 106-69-4

FDA UNII

  • W45XXM0XWE

Other Registry Number

  • 112254-74-7

System Generated Number

  • 0000106694

Structure Descriptors

InChI

1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2

InChIKey

ZWVMLYRJXORSEP-UHFFFAOYSA-N

Smiles

C([C@@H](CO)O)CCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 11400mg/kg (11400mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.
mouse LD50 subcutaneous 5800mg/kg (5800mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 28, Pg. 276, 1972.
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 7/13/1971,
rat LD50 intraperitoneal 10gm/kg (10000mg/kg) LIVER: OTHER CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS
Toxicology and Applied Pharmacology. Vol. 15, Pg. 282, 1969.
rat LD50 intravenous 5600mg/kg (5600mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS

LIVER: OTHER CHANGES
Toxicology and Applied Pharmacology. Vol. 15, Pg. 282, 1969.
rat LD50 oral 15500mg/kg (15500mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 731, 1969.
rat LD50 subcutaneous 10900mg/kg (10900mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 28, Pg. 276, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.770 (none)   EST
Water Solubility 4.05E+05 mg/L 25 EST
Vapor Pressure 7.91E-05 mm Hg 25 EST
Henry's Law Constant 1.48E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.30E-11 cm3/molecule-sec 25 EST

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