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Substance Name: 1-Propyne
RN: 74-99-7
UNII: 086L40ET1B
InChIKey: MWWATHDPGQKSAR-UHFFFAOYSA-N

Molecular Formula

  • C3-H4

Molecular Weight

  • 40.0646
 

Classification Codes

Classification Code

  • Mutation Data

Superlist Classification Codes

  • TWA (1000 ppm)
  • TWA 1000 ppm (1650 mg/m3)
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Names and Synonyms

Name of Substance

  • 1-Propyne
  • Methylacetylene

Synonyms

  • 4-01-00-00958 (Beilstein Handbook Reference)
  • Acetylene, methyl-
  • Allylene
  • BRN 0878138
  • CCRIS 6830
  • EINECS 200-828-4
  • HSDB 2508
  • Methyl acetylene
  • Methylacetylene
  • Propine
  • Propyne
  • UNII-086L40ET1B

Systematic Names

  • 1-Propyne
  • Methylacetylene
  • Propyne

Superlist Names

  • 1-Propyne
  • Methyl acetylene
  • Propyne

Registry Numbers

CAS Registry Number

  • 74-99-7

FDA UNII

  • 086L40ET1B

Other Registry Number

  • 369597-38-6

System Generated Number

  • 0000074997

Structure Descriptors

InChI

1S/C3H4/c1-3-2/h1H,2H3

InChIKey

MWWATHDPGQKSAR-UHFFFAOYSA-N

Smiles

C(C)#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 42000ppm/6H (42000ppm) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)		 AMA Archives of Industrial Health. Vol. 15, Pg. 20, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.03E+02 deg C   EXP
Boiling Point -2.32E+01 deg C   EXP
log P (octanol-water) 0.94 (none)   EXP
Water Solubility 3640 mg/L 25 EXP
Vapor Pressure 4310 mm Hg 25 EXP
Henry's Law Constant 0.011 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.90E-12 cm3/molecule-sec 25 EXP

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