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Substance Name: 1,3-Butadiene
RN: 106-99-0
UNII: JSD5FGP5VD
InChIKey: KAKZBPTYRLMSJV-UHFFFAOYSA-N

Molecular Formula

  • C4-H6

Molecular Weight

  • 54.0914
 

Classification Codes

Classification Codes

  • Carcinogens
  • Human Data
  • Mutagens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 156
  • 2011 CERCLA Priority List, Rank: 155
  • Known to be a Carcinogen
  • Overall Carcinogenic Evaluation: Group 2A
  • Reportable Quantity (RQ) = 10 lb
  • TWA (2 ppm); Suspected human carcinogen
  • TWA see 29 CFR 1910.1051; 29 CFR 910.19(1)

Names and Synonyms

Name of Substance

  • 1,3-Butadiene

Synonyms

  • alpha,gamma-Butadiene
  • Biethylene
  • Bivinyl
  • Buta-1,3-dieen
  • Buta-1,3-dieen [Dutch]
  • Buta-1,3-dien
  • Buta-1,3-dien [German]
  • Buta-1,3-diene
  • Butadieen
  • Butadieen [Dutch]
  • Butadien
  • Butadien [Polish]
  • Butadiene monomer
  • Butadiene-1,3-uninhibited
  • CCRIS 99
  • Divinyl
  • EC 203-450-8
  • EINECS 203-450-8
  • Erythrene
  • HSDB 181
  • NCI-C50602
  • UN 1010
  • UNII-JSD5FGP5VD
  • Vinylethylene

Systematic Names

  • 1,3-Butadiene
  • Buta-1,3-diene

Superlist Names

  • 1,3-Butadiene
  • Butadiene

Registry Numbers

CAS Registry Number

  • 106-99-0

FDA UNII

  • JSD5FGP5VD

Other Registry Numbers

  • 1213224-27-1
  • 130983-70-9
  • 183592-61-2

System Generated Number

  • 0000106990

Structure Descriptors

InChI

1S/C4H6/c1-3-4-2/h3-4H,1-2H2

InChIKey

KAKZBPTYRLMSJV-UHFFFAOYSA-N

Smiles

C(C=C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 2000ppm/7H (2000ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.
human TCLo inhalation 8000ppm (8000ppm) LUNGS, THORAX, OR RESPIRATION: COUGH

SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE
Industrial Medicine. Vol. 17, Pg. 199, 1948.
mouse LC50 inhalation 270gm/m3/2H (270000mg/m3)   Archives of Environmental Health. Vol. 18, Pg. 878, 1969.
mouse LD50 oral 3210mg/kg (3210mg/kg)   National Toxicology Program Technical Report Series. Vol. NTP-TR-288, Pg. 1984,
rabbit LCLo inhalation 25pph/23M (250000ppm) BEHAVIORAL: MUSCLE WEAKNESS

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: TREMOR
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.
rat LC50 inhalation 285gm/m3/4H (285000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Russian Pharmacology and Toxicology Vol. 31, Pg. 162, 1968.
rat LD50 oral 5480mg/kg (5480mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 14, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.09E+02 deg C   EXP
Boiling Point -4.40E+00 deg C   EXP
log P (octanol-water) 1.99 (none)   EXP
Water Solubility 735 mg/L 25 EXP
Vapor Pressure 2110 mm Hg 25 EXP
Henry's Law Constant 0.074 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.66E-11 cm3/molecule-sec 25 EXP

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