|
|
|
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
- Links to Resources
- 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)
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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
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.