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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
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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)
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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
- 25339-57-5
System Generated Number
- 0000106990
Structure Descriptors
InChI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2InChIKey
KAKZBPTYRLMSJV-UHFFFAOYSA-NSmiles
C=CC=CToxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TCLo | inhalation | 2000ppm/7H (2000ppm) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944. |
| human | TCLo | inhalation | 8000ppm (8000ppm) | SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE LUNGS, THORAX, OR RESPIRATION: COUGH | 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: TREMOR BEHAVIORAL: MUSCLE WEAKNESS SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944. |
| rat | LC50 | inhalation | 285gm/m3/4H (285000mg/m3) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: GENERAL ANESTHETIC | 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.