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Substance Name: 1-Hexyne
RN: 693-02-7
UNII: 5FZF2F38F5
InChIKey: CGHIBGNXEGJPQZ-UHFFFAOYSA-N

Molecular Formula

  • C6-H10

Molecular Weight

  • 82.145
 
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Names and Synonyms

Name of Substance

  • 1-Hexyne

Synonyms

  • 1-Hexyne
  • Butylacetylene
  • EINECS 211-736-9
  • n-Butylacetylene
  • NSC 9709
  • UNII-5FZF2F38F5

Systematic Name

  • 1-Hexyne

Registry Numbers

CAS Registry Number

  • 693-02-7

FDA UNII

  • 5FZF2F38F5

Other Registry Numbers

  • 1401716-56-0
  • 2091738-90-6

System Generated Number

  • 0000693027

Structure Descriptors

InChI

1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3

InChIKey

CGHIBGNXEGJPQZ-UHFFFAOYSA-N

Smiles

C(CC#C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Journal of the American Chemical Society. Vol. 79, Pg. 2311, 1957.
mouse LD50 subcutaneous > 400mg/kg (400mg/kg)   Nature. Vol. 174, Pg. 737, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.32E+02 deg C   EXP
Boiling Point 71.3 deg C   EXP
log P (octanol-water) 2.73 (none)   EXP
Water Solubility 360 mg/L 25 EXP
Vapor Pressure 133 mm Hg 25 EXP
Henry's Law Constant 0.040 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.30E-11 cm3/molecule-sec 25 EXP

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