78-79-5 structure, C5H8
isoprene
CAS No.: 78-79-5 Formula: C5H8 Molecular Weight: 68.11700
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isoprene

CAS No.:

78-79-5

Formula:

C5H8

Molecular Weight: 68.11700
Suppliers: All (39) China Suppliers (39) Price Available (11) Contractor (4)

Description

Isoprene, or 2-methyl-1,3-butadiene, is a common organic compound with the formula CH2=C(CH3)-CH=CH2. In its pure form, it is a colorless volatile liquid. Isoprene is produced by many plants.

Basic Info

Numbering system

UNII 0A62964IBU

Properties

Appearance & Physical State

colourless liquid with an aromatic odour

Density

0.68

Boiling Point

34ºC

Melting Point

-146ºC

Freezing Point

-145.96℃

Flash Point

-48ºC

Refractive Index

1.4205-1.4225

Water Solubility

0.07 g/100 mL

Stability

Stability Extremely flammable. Readily forms explosive mixtures with air. Note low flash point, low boiling point, high vapour pressure. Unstable - prone to spontaneous polymerization. May contain a polymerization inhibitor. Incompatible with strong oxidiz

Storage Condition

2-8ºC

Vapor Density

2.35 (vs air)

Vapor Pressure

8.82 psi ( 20 °C)

Safety Info

RTECS

NT4037000

Hazard Class

3

Safety Statements

S45-S53-S61

HS Code

4002601000

WGK Germany

1

Packing Group

I

RIDADR

UN 1218

Risk Statements

R12; R45; R52/53; R68

Hazard Codes

F+; T

Caution Statement

P201; P210; P280; P308 + P313; P370 + P378; P403 + P235

Hazard Declaration

H224; H341; H350; H411

Symbol

GHS02, GHS08, GHS09

Signal Word

Danger

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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name isoprene

1.2 Other means of identification

Product number -
Other names 2-methyl-buta-1,3-diene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
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

Flammable liquids, Category 1

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H224 Extremely flammable liquid and vapour

H341 Suspected of causing genetic defects

H350 May cause cancer

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P201 Obtain special instructions before use.

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

P273 Avoid release to the environment.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

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

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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
isoprene isoprene 78-79-5 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

Rinse skin with plenty of water or shower. Remove contaminated 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

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)

Vapor produces no effects other than slight irritation of the eyes and upper respiratory tract. Liquid may irritate eyes; like gasoline. (USCG, 1999)

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

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aliphatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use fine spray or fog to control fire by preventing its spread and absorbing some of its heat. Use water spray to keep fire-exposed containers cool. Fight fire from protected location or maximum possible distance.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)

Special Hazards of Combustion Products: Toxic vapors are generated when heated Behavior in Fire: May polymerize in containers and explode (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

Evacuate danger area! Consult an expert! Remove all ignition sources. Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Cover the spilled material with inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria 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. Separated from combustible substances, reducing agents, strong oxidants, strong bases, strong acids, alcohols and acid chlorides. Cool. Keep in the dark. Well closed. Store only if stabilized. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.Store in a cool, dry well-ventilated location. Outside or detached storage is preferred. Separate from oxidizing materials.

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 colourless liquid with an aromatic odour
Colour Colorless volatile liquid
Odour Mild, aromatic
Melting point/ freezing point -146°C(lit.)
Boiling point or initial boiling point and boiling range 34°C(lit.)
Flammability Extremely flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.5% by volume; Upper flammable limit: 8.9% by volume
Flash point -54°C
Auto-ignition temperature 220°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.3 mm²/s at 20-25°C
Solubility In water:0.07 g/100 mL
Partition coefficient n-octanol/water (log value) log Kow = 2.42
Vapour pressure 8.82 psi ( 20 °C)
Density and/or relative density 0.681g/mLat 20°C
Relative vapour density 2.35 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Unstable, oxidizable

10.3 Possibility of hazardous reactions

Highly flammable, dangerous fire ... risk ...The vapour 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 in vents or flame arresters, causing blockage.The unsaturated aliphatic hydrocarbons, such as ISOPRENE and PENTENE, are generally much more reactive than the alkanes. They react vigorously with strong oxidizing agents. Can react exothermically with reducing agents to release gaseous hydrogen. Isoprene readily polymerizes exothermically to form rubber-like products. Pentene inhibits this reaction. Isoprene may undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions have occurred at low temperatures in ammonia synthesis gas units. These explosions have been traced to the addition products between dienes (isoprene is a diene) and oxides of nitrogen, produced from the interaction of nitrogen oxide and oxygen. [Bretherick, 1995]. Isoprene oxidize in air to form unstable peroxides that may explode spontaneously [Bretherick, 1979 p.151-154, 164]. Mixing isoprene in equal molar portions with any of the following substances in a closed container caused the temperature and pressure to increase: chlorosulfonic acid, nitric acid(70%), oleum, sulfuric acid (90%) [NFPA 1991].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Isoprene (1 g) dissolved in heptane was ozonised at -78°C. Soon after cooling was stopped, a violent explosion, followed by a lighter one, occurred. This was attributed to high concn of peroxides and ozonides building up at the rather low temperature employed. Operation at a higher temperature would permit the ozonides and peroxides to decompose, so avoiding high concn in the reaction mixture.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 2,043-2,210 mg/kg
  • Inhalation: LC50 Rat inhalation 180 g/cu m/4 hr
  • 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

Evaluation: No epidemiological data relevant to the carcinogenicity of isoprene were available. There is sufficient evidence in experimental animals for the carcinogenicity of isoprene. Overall evaluation: Isoprene is possibly carcinogenic to humans (Group 2B).

Reproductive toxicity

no data available

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: LC50; Species: Lepomis macrochirus (Bluegill, length 3.8-6.4 cm, weight 1-2 g); Conditions: freshwater, static, 25°C, pH 7.5, hardness 20 mg/L CaCO3, alkalinity 18 mg/L CaCO3, dissolved oxygen 7.8 mg/L; Concentration: 42540 ug/L for 24 hr (95% confidence interval: 32500-50150 ug/L) /formulated product
  • 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

AEROBIC: The half-life of isoprene at an initial concentration of 500 ppb in 30 g temperate forest surface soil samples from Ithaca, NY was about 6 hours at temperatures of 5 to 40°C. It was also determined that the rate of degradation was slower in subsurface soils (15-18 cm depth) than in surface soil (0-3 cm depth) samples(1).[(1) Cleveland CC, Yavitt JB; Appl Environ Microbiol 64: 172-77 (1998)] Full text: PMC124689

12.3 Bioaccumulative potential

BCFs of 5-14 and <5.8-20 were measured in carp (Cyprinus carpio) exposed to 50 and 5 ug/L of isoprene over a 6-week period(1). According to a classification scheme(2), these BCFs suggest bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.

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: UN1218 IMDG: UN1218 IATA: UN1218

14.2 UN Proper Shipping Name

ADR/RID: ISOPRENE, STABILIZED
IMDG: ISOPRENE, STABILIZED
IATA: ISOPRENE, STABILIZED

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

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
isoprene isoprene 78-79-5 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 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

Expand
1H NMR : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

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C5 H8 0.04 ml : 0.5 ml CDCl3
isoprene

78-79-5 NMR spectrum

Assign. Shift(ppm)
A 6.44
B 5.19
C 5.06
D 4.99
E 1.85

IR : liquid filmExpand
Mass Expand
Raman : 4880 A,200 M,liquidExpand
More

GC Analysis

Total 40 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Capillary OV-1 27. 496. isothermal
Capillary OV-1 30. 508. isothermal
Capillary OV-1 75. 506. isothermal
Packed Squalane 70. 499. isothermal
Capillary Squalane 50. 497.5 isothermal
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