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Substance Name: Isoprene
RN: 78-79-5
UNII: 0A62964IBU
InChIKey: RRHGJUQNOFWUDK-UHFFFAOYSA-N

Note

  • Used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers.

Molecular Formula

  • C5-H8

Molecular Weight

  • 68.1182
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb

Names and Synonyms

Name of Substance

  • Isoprene

Synonyms

  • 1,3-Butadiene, 2-methyl-
  • 2-Methyl-1,3-butadiene
  • 2-Methylbutadiene
  • 2-Methyldivinyl
  • 3-Methyl-1,3-butadiene
  • beta-Methylbivinyl
  • CCRIS 6253
  • EC 201-143-3
  • EINECS 201-143-3
  • HSDB 620
  • Isopentadiene
  • Isoprene
  • NSC 9237
  • UNII-0A62964IBU

Systematic Names

  • 1,3-Butadiene, 2-methyl-
  • 2-Methyl-1,3-butadiene
  • Isoprene

Superlist Names

  • 1,3-Butadiene, 2-methyl-
  • Isoprene
  • Isoprene, inhibited
  • Isoprene, inhibited [UN1218] [Flammable liquid]
  • UN1218

Registry Numbers

CAS Registry Number

  • 78-79-5

FDA UNII

  • 0A62964IBU

Other Registry Numbers

  • 78006-92-5
  • 823271-95-0

System Generated Number

  • 0000078795

Structure Descriptors

InChI

1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

InChIKey

RRHGJUQNOFWUDK-UHFFFAOYSA-N

Smiles

C(C=C)(C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 139gm/m3/2H (139000mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(1), Pg. 36, 1965.
rat LC50 inhalation 180gm/m3/4H (180000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Russian Pharmacology and Toxicology Vol. 31, Pg. 162, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.46E+02 deg C   EXP
Boiling Point 34 deg C   EXP
log P (octanol-water) 2.42 (none)   EXP
Water Solubility 642 mg/L 25 EXP
Vapor Pressure 550 mm Hg 25 EXP
Henry's Law Constant 0.077 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-10 cm3/molecule-sec 25 EXP

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