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Substance Name: 3-Butyn-2-ol
RN: 2028-63-9
InChIKey: GKPOMITUDGXOSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H6-O

Molecular Weight

  • 70.0904
 
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Names and Synonyms

Synonyms

  • 1-Butyn-3-ol
  • 1-Ethynylethanol
  • 1-Methyl-2-propynyl alcohol
  • 1-Methylpropargyl alcohol
  • 3-Butyn-2-ol
  • 3-Butyne-2-ol
  • 3-Hydroxy-1-butyne
  • 4-01-00-02218 (Beilstein Handbook Reference)
  • AI3-37957
  • alpha-Methylpropargyl alcohol
  • BRN 0635722
  • EINECS 217-978-1
  • Methylethynylcarbinol
  • NSC 222370

Systematic Names

  • 1-Butyn-3-ol
  • 3-Butyn-2-ol

Registry Numbers

CAS Registry Number

  • 2028-63-9

Other Registry Numbers

  • 123362-54-9
  • 65337-13-5

System Generated Number

  • 0002028639

Structure Descriptors

InChI

1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3

InChIKey

GKPOMITUDGXOSB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 30mg/kg (30mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.00E+00 deg C   EXP
Boiling Point 106.5 deg C   EXP
log P (octanol-water) .00E+00 (none)   EST
Atmospheric OH Rate Constant 1.41E-11 cm3/molecule-sec 25 EST

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