106-99-0 structure, C4H6
buta-1,3-diene
CAS No.: 106-99-0 Formula: C4H6 Molecular Weight: 54.09040
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buta-1,3-diene

CAS No.:

106-99-0

Formula:

C4H6

Molecular Weight: 54.09040
Suppliers: All (18) China Suppliers (17) Price Available (7) Contractor (1)

Description

1,3-Butadiene is a simple conjugated diene with the formula C4H6. It is an important industrial chemical used as a monomer in the production of synthetic rubber. The molecule can be viewed as two vinyl groups (CH2=CH2) joined together. The word butadiene usually refers to 1,3-butadiene which has the structure H2C=CH−CH=CH2.
Although butadiene breaks down quickly in the atmosphere, it is nevertheless found in ambient air in urban and suburban areas as a consequence of its constant emission from motor vehicles. The EPA lists it as the "mobile source air toxic" with the highest normalized risk factor, exceeding that of formaldehyde, the second riskiest air toxic emitted by motor vehicles, by a factor of more than 20.
The name butadiene can also refer to the isomer, 1,2-butadiene, which is a cumulated diene with structure H2C=C=CH−CH3. However, this allene is difficult to prepare and has no industrial significance. This diene is also not expected to act as a diene in a Diels–Alder reaction due to its structure. To effect a Diels-Alder reaction only a conjugated diene will suffice. The rest of this article concerns only 1,3–butadiene.

Basic Info

Chemical Name

buta-1,3-diene

Synonyms

1,3-Butadiene;

CAS No.

106-99-0

Molecular Formula

C4H6

Molecular Weight

54.09040

PSA

0.00000

LogP

1.35840

Numbering system

UNII JSD5FGP5VD

Properties

Appearance & Physical State

Colorless gas (compressed liquefied gas)

Density

0.62 g/mL at 20 °C(lit.)

Boiling Point

-5 ~ -4ºC

Melting Point

< -140ºC

Freezing Point

-108.91℃

Flash Point

-76ºC

Refractive Index

1.4292

Stability

Stable. Extremely flammable. May form explosive mixtures with air. Incompatible with strong oxidizing agents, copper, copper alloys. May contain stabilizer.

Storage Condition

0-6ºC

Vapor Density

1.9 (15 °C, vs air)

Vapor Pressure

1863 mm Hg ( 21 °C)

Safety Info

RTECS

EI9275000

Hazard Class

2.1

Safety Statements

S45-S53

WGK Germany

2

RIDADR

UN 1010 2.1

Risk Statements

R12; R45

Hazard Codes

F+; T; N

Hazard Declaration

H220; H280; H340; H350

Signal Word

Danger

Caution Statement

P201; P210; P308 + P313; P410 + P403

Symbol

GHS02, GHS08

SDS 1.0

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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name buta-1,3-diene

1.2 Other means of identification

Product number -
Other names 1,3-BUTADIENE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Volatile organic compounds
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Gases under pressure: Compressed gas

Flammable gases, Category 1

Germ cell mutagenicity, Category 1B

Carcinogenicity, Category 1A

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H220 Extremely flammable gas

H340 May cause genetic defects

H350 May cause cancer

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely.

P381 In case of leakage, eliminate all ignition sources.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P410+P403 Protect from sunlight. Store in a well-ventilated place.

P403 Store in a well-ventilated place.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
buta-1,3-diene buta-1,3-diene 106-99-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Refer for medical attention.

In case of skin contact

ON FROSTBITE: rinse with plenty of water, do NOT remove clothes. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

Slight anesthetic effect at high concentrations; causes ``frostbite'' from skin contact; slight irritation to eyes and nose at high concentrations. (USCG, 1999)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Excerpt from ERG Guide 116P [Gases - Flammable (Unstable)]: DO NOT EXTINGUISH A LEAKING GAS FIRE UNLESS LEAK CAN BE STOPPED. SMALL FIRE: Dry chemical or CO2. LARGE FIRE: Water spray or fog. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Do not direct water at source of leak or safety devices; icing may occur. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)

5.2 Specific hazards arising from the chemical

Behavior in Fire: Vapors heavier than air and may travel a considerable distance to a source of ignition and flashback. Containers may explode in a fire due to polymerization. (USCG, 1999)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. NEVER direct water jet on liquid.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Fireproof. Cool. Separated from food and feedstuffs.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Colorless gas (compressed liquefied gas)
Colour no data available
Odour no data available
Melting point/ freezing point 176°C(lit.)
Boiling point or initial boiling point and boiling range ?4.5°C(lit.)
Flammability Flammable GasExtremely flammable.
Lower and upper explosion limit / flammability limit no data available
Flash point -75°C
Auto-ignition temperature 420°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility Insoluble
Partition coefficient n-octanol/water (log value) 1.99
Vapour pressure 1863 mm Hg ( 21 °C)
Density and/or relative density 0.62g/mLat 20°C(lit.)
Relative vapour density 1.9 (15 °C, vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

The gas is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated. Vapours are uninhibited and may polymerize, causing blockage of vents.A colorless gas, it can react with oxidizing reagents. Upon long exposure to air it forms explosive peroxides. They are sensitive to heat or shock; sudden polymerization may occur [Scott, D. A., Chem. Eng. News, 1940, 18, p.404]. Butadiene polyperoxides are insoluble in liquefied butadiene (m. p. -113° C, b. p. -2.6° C) and progressively separate leading to local concentration build up. Self-heating from a spontaneous decomposition will lead to explosion [Hendry, D. G. et al., Ind. Eng. Chem., 1968, 7, p. 136, 1145]. Explodes on contact with aluminum tetrahydroborate, potentially explosive reaction with chlorine dioxide (peroxide) and crotonaldehyde (above 180° C). Reaction with sodium nitrite forms a spontaneously flammable product [Sax, 9th ed., 1996, p. 539].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

AIR AND WATER REACTIONS: In contact with air, butadiene may form violently explosive peroxides, which can be exploded by mild heat or shock. Solid butadiene absorbs enough oxygen at subatmospheric pressures to make it explode violently when heated just above its melting point (Ind. Eng. Chem. 51:733 1959).CHEMICAL PROFILE: A colorless gas, it can react with oxidizing reagents. Upon long exposure to air it forms explosive peroxides. They are sensitive to heat or shock; sudden polymerization may occur [Scott, D. A., Chem. Eng. News, 1940, 18, p.404]. Butadiene polyperoxides are insoluble in liquified butadiene (m. p. -113 C, b. p. -2.6 C) and progressively separate leading to local concentration build up. Self-heating from a spontaneous decomposition will lead to explosion [Hendry, D. G. et al., Ind. Eng. Chem., 1968, 7, p. 136, 1145]. Explodes on contact with aluminum tetrahydroborate, potentially explosive reaction with chlorine dioxide (peroxide) and crotonaldehyde (above 180 C). Reaction with sodium nitrite forms a spontaneously flammable product [Sax, 9th ed., 1996, p. 539]. (REACTIVITY, 1999)

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

NTP: Known to be a human carcinogen

Reproductive toxicity

No information is available on reproductive or developmental effects of 1,3-butadiene in humans. Animal studies using mice have reported developmental effects, such as skeletal abnormalities and decreased fetal weights, and reproductive effects, including an increased incidence of ovarian atrophy and testicular atrophy from inhalation exposure to 1,3-butadiene.

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2037 IMDG: UN2037 IATA: UN2037

14.2 UN Proper Shipping Name

ADR/RID: RECEPTACLES, SMALL, CONTAINING GAS (GAS CARTRIDGES) without a release device, non-refillable
IMDG: RECEPTACLES, SMALL, CONTAINING GAS (GAS CARTRIDGES) without a release device, non-refillable
IATA: RECEPTACLES, SMALL, CONTAINING GAS (GAS CARTRIDGES) without a release device, non-refillable

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
buta-1,3-diene buta-1,3-diene 106-99-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

MSDS

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106-99-0 NMR spectrum
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