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Substance Name: 1-Pentyn-3-ol
RN: 4187-86-4
InChIKey: LBSKEFWQPNVWTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H8-O

Molecular Weight

  • 84.1172
 
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Names and Synonyms

Name of Substance

  • 1-Pentyn-3-ol

Synonyms

  • 4-01-00-02224 (Beilstein Handbook Reference)
  • AI3-28604
  • BRN 1098409
  • EINECS 224-063-0
  • Ethylethynylcarbinol
  • NSC 60556

Systematic Name

  • 1-Pentyn-3-ol

Registry Numbers

CAS Registry Number

  • 4187-86-4

System Generated Number

  • 0004187864

Structure Descriptors

InChI

1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3

InChIKey

LBSKEFWQPNVWTP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 70mg/kg (70mg/kg)   Therapie. Vol. 11, Pg. 692, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 125 deg C   EXP
log P (octanol-water) 0.490 (none)   EST
Atmospheric OH Rate Constant 1.68E-11 cm3/molecule-sec 25 EST

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