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Substance Name: 3-Butyn-1-ol
RN: 927-74-2
UNII: P74L430293
InChIKey: OTJZCIYGRUNXTP-UHFFFAOYSA-N

Note

  • Alcohol dehydrogenase inactivator.

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C4-H6-O

Molecular Weight

  • 70.0904
 
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Names and Synonyms

Name of Substance

  • 3-Butyn-1-ol

Synonyms

  • 1-Butyn-4-ol
  • 2-Hydroxyethylacetylene
  • 3-Butyn-1-ol
  • 3-Butyne-1-ol
  • 3-Butynol
  • 3-Butynyl alcohol
  • 4-01-00-02219 (Beilstein Handbook Reference)
  • 4-Hydroxy-1-butyne
  • AI3-25453
  • BRN 0773710
  • EINECS 213-161-9
  • NSC 9708
  • UNII-P74L430293

Systematic Names

  • 3-Butyn-1-ol
  • But-3-yn-1-ol

Registry Numbers

CAS Registry Number

  • 927-74-2

FDA UNII

  • P74L430293

System Generated Number

  • 0000927742

Structure Descriptors

InChI

1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2

InChIKey

OTJZCIYGRUNXTP-UHFFFAOYSA-N

Smiles

C(C#C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05171,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.36E+01 deg C   EXP
Boiling Point 129 deg C   EXP
log P (octanol-water) 0.070 (none)   EST
Atmospheric OH Rate Constant 1.23E-11 cm3/molecule-sec 25 EST

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