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Substance Name: 1-Butyne
RN: 107-00-6
UNII: A6B47CPN6W
InChIKey: KDKYADYSIPSCCQ-UHFFFAOYSA-N

Molecular Formula

  • C4-H6

Molecular Weight

  • 54.0914
 
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Names and Synonyms

Name of Substance

  • 1-Butyne

Synonyms

  • 1-Butyne
  • EINECS 203-451-3
  • UNII-A6B47CPN6W

Systematic Name

  • 1-Butyne

Superlist Names

  • 1-Butyne
  • Ethyl acetylene
  • Ethylacetylene, inhibited
  • Ethylacetylene, inhibited [UN2452] [Flammable gas]
  • UN2452

Registry Numbers

CAS Registry Number

  • 107-00-6

FDA UNII

  • A6B47CPN6W

System Generated Number

  • 0000107006

Structure Descriptors

InChI

1S/C4H6/c1-3-4-2/h1H,4H2,2H3

InChIKey

KDKYADYSIPSCCQ-UHFFFAOYSA-N

Smiles

C(C#C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.26E+02 deg C   EXP
Boiling Point 8 deg C   EXP
log P (octanol-water) 1.530 (none)   EST
Water Solubility 2870 mg/L 25 EXP
Henry's Law Constant 0.021 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.00E-12 cm3/molecule-sec 25 EXP

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