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Substance Name: 1-Buten-3-yne, 2-methyl-
RN: 78-80-8
InChIKey: BOFLDKIFLIFLJA-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H6

Molecular Weight

  • 66.1024
 
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Names and Synonyms

Synonyms

  • 2-Methyl-1-buten-3-yne
  • 4-01-00-01089 (Beilstein Handbook Reference)
  • AI3-25132
  • BRN 0969175
  • EINECS 201-144-9
  • Isopropenylacetylene
  • NSC 9296
  • Valylene

Systematic Names

  • 1-Buten-3-yne, 2-methyl-
  • 2-Methylbut-1-en-3-yne

Superlist Names

  • 1-Buten-3-yne, 2-methyl-
  • Isopropenylacetylene

Registry Numbers

CAS Registry Number

  • 78-80-8

System Generated Number

  • 0000078808

Structure Descriptors

InChI

1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3

InChIKey

BOFLDKIFLIFLJA-UHFFFAOYSA-N

Smiles

C(C#C)(C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 12600mg/m3 (12600mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 55, 1987.
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 100, 1956.
mouse LD50 oral 350mg/kg (350mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
rat LDLo oral 639mg/kg (639mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.13E+02 deg C   EXP
Boiling Point 32 deg C   EXP
log P (octanol-water) 1.950 (none)   EST
Atmospheric OH Rate Constant 7.29E-11 cm3/molecule-sec 25 EST

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