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CAS 1 record

CAS 106-99-0

CAS 106-99-0 matches 1 EU annex record across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

PubChem 2D chemical structure for CAS 106-99-0
CAS 106-99-0PubChem CID 7845

1,3-Butadiene

Buta-1,3-diene is a butadiene with unsaturation at positions 1 and 3. It has a role as a mutagen and a carcinogenic agent. — ChEBI

IUPAC name
buta-1,3-diene
Molecular formula
C4H6
Molecular weight
54.09 g/mol
Exact mass
54.0469501914 Da
XLogP3
2.0
Topological polar surface area
0.0 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
0
Covalent units
1
Defined stereocentres
0

Also known as

DivinylBiethyleneVinylethyleneBivinylErythrenePyrrolyleneButadieenButadien
16 more reported names
Buta-1,3-dienButa-1,3-dieenalpha,gamma-ButadieneButadiene monomerNCI-C506021,3-butadienJSD5FGP5VDUN 1010CHEBI:39478butadiene-1,3alpha, gamma-butadieneRefChem:6367203-450-8BUTADIENEButa-1,3-dien [German].alpha.,.gamma.-Butadiene
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Evidence from additional scientific databases

EMBL-EBI ChEBI
Exact identifier matchCHEBI:39478

buta-1,3-diene

A butadiene with unsaturation at positions 1 and 3.

Formula
C4H6
Average mass
54.092 g/mol
Monoisotopic mass
54.04695 Da
Formal charge
0
  • butadiene — is a (CHEBI:39479)
  • carcinogenic agent — has role (CHEBI:50903)
  • mutagen — has role (CHEBI:25435)
  • carcinogenic agent — has role (CHEBI:50903)
  • mutagen — has role (CHEBI:25435)
  • butadiene — is a (CHEBI:39479)
Additional curated names
buta-1,3-diene1,3-Butadien1,3-butadienebivinylButa-1,3-dienCH2=CH-CH=CH2divinylvinylethylenealpha,gamma-butadiene
Cross-references from this source
  • CAS: 106-99-0 — NIST Chemistry WebBook
  • CAS: 106-99-0 — ChemIDplus
  • CAS: 106-99-0 — KEGG COMPOUND
  • MANUAL_X_REF: 1,3-Butadiene — Wikipedia
  • MANUAL_X_REF: 1636 — PPDB
  • MANUAL_X_REF: C16450 — KEGG COMPOUND
  • MANUAL_X_REF: HMDB0041792 — HMDB
  • REGISTRY_NUMBER: 25198 — Gmelin
  • REGISTRY_NUMBER: 605258 — Reaxys

Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2014-07-28. Retrieved: 2026-08-31. Open source record

NIH PubChem PUG-View
Exact identifier match7845

Attributed physical-property, hazard, environmental and use annotations.

  • Physical Description: Butadiene is a colorless gas with an aromatic odor. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air and a flame can flash back to the source of leak very easily. It can asphyxiate by the displacement of air. It must be shipped inhibited as butadiene is liable to polymerization. If polymerization occurs in the container, it may violently rupture. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used to make synthetic rubber and plastics, and to make other chemicals. Source: CAMEO Chemicals
  • Physical Description: Gas Vapor; Large Crystals; Liquid Source: EPA Chemical Data Reporting (CDR)
  • Physical Description: Colorless gas with a mild aromatic or gasoline-like odor. [Note: A liquid below 24 degrees F. Shipped as a liquefied compressed gas.] Vapor density = 1.87 (heavier than air); [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
  • Physical Description: Liquid Source: Human Metabolome Database (HMDB)
  • Physical Description: COLOURLESS COMPRESSED LIQUEFIED GAS WITH CHARACTERISTIC ODOUR. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
  • Physical Description: Colorless gas with a mild aromatic or gasoline-like odor. Source: Occupational Safety and Health Administration (OSHA)
  • Physical Description: Colorless gas with a mild aromatic or gasoline-like odor. [Note: A liquid below 24 °F. Shipped as a liquefied compressed gas.] Source: The National Institute for Occupational Safety and Health (NIOSH)
  • First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.; SKIN: CAUTION: Exposure of skin to compressed gases may result in freezing of the skin. Treatment for frostbite may be necessary. Remove the victim from the source of contamination. IMMEDIATELY wash affected areas gently with COLD water (and soap, if necessary) while removing and isolating all contaminated clothing. Dry carefully with clean, soft towels. Call a hospital or poison control center IMMEDIATELY even if no symptoms (such as inflammation or irritation) develop. Be prepared to transport the victim to a hospital for treatment after washing the affected area if advised to do so by a physician.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to Source: CAMEO Chemicals
  • First Aid: (General first aid procedures); Eye: Frostbite - If eye tissue is frozen, seek medical attention immediately; if tissue is not frozen, immediately and thoroughly flush the eyes with large amounts of water for at least 15 minutes, occasionally lifting the lower and upper eyelids. If irritation, pain, swelling, lacrimation, or photophobia persist, get medical attention as soon as possible.; Skin: Frostbite - Compressed gases may create low temperatures when they expand rapidly. Leaks and uses that allow rapid expansion may cause a frostbite hazard. Wear appropriate personal protective clothing to prevent the skin from becoming frozen.; Breathing: Respiratory support Source: The National Institute for Occupational Safety and Health (NIOSH)
  • Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • GHS Hazard Statements: H220: Extremely flammable gas [Danger Flammable gases]; H340: May cause genetic defects [Danger Germ cell mutagenicity]; H350: May cause cancer [Danger Carcinogenicity] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • Precautionary Statement Codes: P203, P210, P222, P280, P318, P377, P381, P403, P405, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
  • Note: This chemical does not meet GHS hazard criteria for 0.1% (2 of 1783) of reports. Source: European Chemicals Agency (ECHA)
  • Signal: Danger Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H220 (99.8%): Extremely flammable gas [Danger Flammable gases]; H280 (33.3%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]; H340 (99.9%): May cause genetic defects [Danger Germ cell mutagenicity]; H350 (99.9%): May cause cancer [Danger Carcinogenicity]; H361 (24.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H412 (24.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
  • Precautionary Statement Codes: P203, P210, P222, P273, P280, P318, P377, P381, P403, P405, P410+P403, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
  • ECHA C&L Notifications Summary: Aggregated GHS information provided per 1783 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 2 of 1783 reports by companies.; There are 26 notifications provided by 1781 of 1783 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
  • Signal: Danger Source: NITE-CMC
  • GHS Hazard Statements: H220: Extremely flammable gas [Danger Flammable gases]; H280: Contains gas under pressure; may explode if heated [Warning Gases under pressure]; H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]; H340: May cause genetic defects [Danger Germ cell mutagenicity]; H350: May cause cancer [Danger Carcinogenicity]; H360: May damage fertility or the unborn child [Danger Reproductive toxicity]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]; H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] Source: NITE-CMC
  • Precautionary Statement Codes: P203, P210, P222, P260, P261, P264, P264+P265, P270, P271, P280, P304+P340, P305+P351+P338, P318, P319, P337+P317, P377, P381, P403, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • GHS Hazard Statements: H220: Extremely flammable gas [Danger Flammable gases]; H280: Contains gas under pressure; may explode if heated [Warning Gases under pressure]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]; H340: May cause genetic defects [Danger Germ cell mutagenicity]; H350: May cause cancer [Danger Carcinogenicity]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]; H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] Source: NITE-CMC
  • Health Effects: Breathing high levels of 1,3-butadiene causes central nervous system damage. Chronic exposure may also cause lung damage and kidney, liver, and cardiovascular disease. In addition, 1,3-butadiene is a known human carcinogen. (L990) Source: Toxin and Toxin Target Database (T3DB)
  • Toxicity Summary: IDENTIFICATION AND USE: 1,3-Butadiene is a product of incomplete combustion resulting from natural processes and human activity. It is also an industrial chemical used in the production of polymers, polybutadiene, styrene-butadiene rubbers and lattices and nitrile-butadiene rubbers. HUMAN EXPOSURE AND TOXICITY: 1,3-Butadiene can asphyxiate by the displacement of air. An association between exposure to this chemical in the occupational environment and leukemia has been well established. In the largest and most comprehensive study conducted to this date, involving a cohort of workers in multiple plants, mortality due to leukemia increased with estimated cumulative exposure to 1,3-butadiene in styrene-butadiene industry; this association remained after controlling for exposure to styrene and benzene and was strongest in those subgroups with highest potential exposure. An association between 1,3-butadiene and leukemia was observed in an independently conducted case-control study of largely the same population of workers. However, there was no increase in mortality due to leukemia in butadiene monomer production workers who were not concomitantly exposed to some of the other substances Source: Hazardous Substances Data Bank (HSDB)
  • Toxicity Summary: Certain metabolites of 1,3-butadiene have been shown to bind to DNA and nucleoproteins, forming protein-DNA and DNA-DNA crosslinks. Specifically, 1,2-epoxybutene-3 and diepoxybutane react with guanine to cause crosslinking. (L990, A293) Source: Toxin and Toxin Target Database (T3DB)
  • Environmental Bioconcentration: An estimated BCF of 7 was calculated in fish for 1,3-butadiene(SRC), using a log Kow of 1.99(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1,3-Butadiene is reported to have low bioconcentration based on tests using carp (Cyprinus carpio)(4), however, actual BCF values were not reported(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a structure estimation method(2), indicates that 1,3-butadiene is expected to have very high mobility in soil(SRC). Volatilization of 1,3-butadiene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.0736 atm-cu m/mole(SRC),calculated from its vapor pressure of 2,052 mm Hg(3) and water solubility of 735 mg/L(4). 1,3-Butadiene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Laboratory studies employing pure bacterial cultures isolated from lake and soil samples were shown to degrade 1,3-butadiene to 1,2-epoxybutene(5,6), however it is not clear what the rate of degradation is under environmental conditions(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a structure estimation method(2), indicates that 1,3-butadiene is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.0736 atm-cu m/mole(SRC), calculated from its vapor pressure of 2,052 mm Hg(4) and water solubility of 735 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.2 hours and 2.9 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 10(SRC), from its log Kow of 1.99(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The biodegradation half-life in aerobic waters has been reported as 7 days and the half-life in anaerobic waters was reported as 28 days(8). 1,3-Butadiene is not expected to undergo hydrolysis in the environment due to a lack of hydrolyzable functional groups(3,8). 1,3-Butadiene is an olefin and olefins can degrade in natural waters via photooxidation (with hydroxyl, pero Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-butadiene, which has a vapor pressure of 2,052 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase 1,3-butadiene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 6 hours(SRC), calculated from its rate constant of 6.93X10-11 cu cm/molecule-sec at 25 °C(3). Gas-phase 1,3-butadiene is also degraded in the atmosphere by reaction with ozone(SRC); the half-life for this reaction in air is estimated to be 44 hours(SRC), calculated from its rate constant of 6.24X10-18 cu cm/molecule-sec at 25 °C(3). Atmospheric reaction with nitrate radicals is an important night time sink for 1,3-butadiene(4,5); the half-life for this reaction in air is estimated to be 8 hours(SRC), calculated from its rate constant of 1.0X10-13 cu cm/molecule-sec at 25 °C(3). 1,3-Butadiene absorbs at wavelengths >290 nm(3) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Uses: 1,3-Butadiene is used in the production of rubber and plastics. It is also used in copolymers including acrylics. Source: EPA Hazardous Air Pollutants
  • Sources/Uses: Used in the production of synthetic rubber for motor vehicle tires; also used in styrene-butadiene polymers, acrylonitrile-butadiene-styrene resins, and other compounds; [ACGIH] In a study of Swedish refinery workers, The exposure to 1,3-butadiene among all exposure groups was low (95% of all samples were below 10 ug/m3) in relation to the Swedish OEL, of 1000 ug/m3. [PMID 28578463] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
  • Restricted Notes: See Occupational Safety & Health Standard--29CFR1910.1051 Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
  • Industrial Processes with risk of exposure: Plastic Composites Manufacturing [Category: Industry] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
  • Activities with risk of exposure: Smoking cigarettes [Category: Food & Drugs] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
  • Uses: The majority of the butadiene produced worldwide is used as a monomer or co-monomer in the manufacture of synthetic rubber, above all for styrene - butadiene rubber and latex (SBR), polybutadiene rubber (BR), acrylonitrile - butadiene rubber and latex (NBR), and for chloroprene rubber (CR). Important plastics containing butadiene as a monomer component are impact-resistant polystyrene, a two-phase system consisting of polystyrene and polybutadiene; ABS polymers, consisting of acrylonitrile, butadiene, and styrene; and a copolymer of methyl methacrylate, butadiene, and styrene (MBS), which is used as a modifier for poly(vinyl chloride). In addition, butadiene is an intermediate in the synthesis of several important chemicals. Source: Hazardous Substances Data Bank (HSDB)
  • Uses: ... In the manufacture of adiponitrile. Source: Hazardous Substances Data Bank (HSDB)
  • Uses: CHEM INT FOR ADIPONITRILE, POLYCHLOROPRENE VIA CHLOROPRENE, 1,5,9-CYCLODODECATRIENE & 1,4-HEXADIENE, CAPTAN & CAPTOFOL FUNGICIDES, ETHYLIDENE NORBORNENE & SULFOLANE, BORON ALKYLS, HEXACHLOROBUTADIENE, BUTANEDIOL (NON-US USE), & FOR 1,5-CYCLOOCTADIENE (FORMER USE). Source: Hazardous Substances Data Bank (HSDB)
  • Uses: Synthetic elastomers (styrene-butadiene, polybutadiene, neoprene, nitriles), acrylonitrile-butadiene-styrene (ABS) resins, chemical intermediate. Source: Hazardous Substances Data Bank (HSDB)
  • Uses: For more Uses (Complete) data for 1,3-BUTADIENE (6 total), please visit the HSDB record page. Source: Hazardous Substances Data Bank (HSDB)
  • Uses: 1,3-Butadiene is made from the processing of petroleum. It is used mainly to make synthetic rubber for tires. It is also used to make plastics such as acrylics, and small amounts can be found in gasoline. (L990) Source: Toxin and Toxin Target Database (T3DB)

Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record

Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.

Additional source coverage and match status
SourceResultChecked
EMBL-EBI ChEBIExact match2026-08-31
NIH PubChem PUG-ViewExact match2026-08-31

A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

Records for CAS 106-99-0

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How CAS 106-99-0 is used on this site

CAS 106-99-0 is the Chemical Abstracts Service identifier used to pin this page to a specific substance. In the current dataset, 1 EU annex record shares this identifier, which helps you cross-check whether the same substance appears under one regulatory context or several.

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