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Substance Name: 1,3-Butanediol, 2-methyl-
RN: 684-84-4
InChIKey: GNBPEYCZELNJMS-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-O2

Molecular Weight

  • 104.148
 
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Names and Synonyms

Synonyms

  • 2-Methyl-1,3-butanediol
  • 2-Methylbutanediol-1,3
  • 2-Methylbutanediol-1,3 [German]
  • 4-01-00-02546 (Beilstein Handbook Reference)
  • BRN 1732163

Systematic Name

  • 1,3-Butanediol, 2-methyl-

Registry Numbers

CAS Registry Number

  • 684-84-4

System Generated Number

  • 0000684844

Structure Descriptors

InChI

1S/C5H12O2/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3

InChIKey

GNBPEYCZELNJMS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 15700mg/kg (15700mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 228, Pg. 367, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 200 deg C   EXP
log P (octanol-water) 0.130 (none)   EST
Atmospheric OH Rate Constant 1.59E-11 cm3/molecule-sec 25 EST

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