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Substance Name: Butane-1,2,3-triol
RN: 4435-50-1
InChIKey: YAXKTBLXMTYWDQ-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-O3

Molecular Weight

  • 106.12
 
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Names and Synonyms

Synonym

  • EINECS 224-643-3

Systematic Names

  • 1,2,3-Butanetril
  • Butane-1,2,3-triol

Registry Numbers

CAS Registry Number

  • 4435-50-1

System Generated Number

  • 0004435501

Structure Descriptors

InChI

1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3

InChIKey

YAXKTBLXMTYWDQ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.230 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EST
Henry's Law Constant 8.42E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.32E-11 cm3/molecule-sec 25 EST

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