100-40-3 structure, C8H12
4-Vinyl-1-Cyclohexene
CAS No.: 100-40-3 Formula: C8H12 Molecular Weight: 108.18100
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4-Vinyl-1-Cyclohexene

CAS No.:

100-40-3

Formula:

C8H12

Molecular Weight: 108.18100
Suppliers: All (28) China Suppliers (28) Price Available (11) Contractor (2)

Description

4-Vinylcyclohexene is an organic compound formed when 1,3-butadiene dimerizes in a Diels-Alder reaction. It is found in industrial processes involving 1,3-butadiene, including the manufacture of lauric acid. The 4-vinylcyclohexene formed may be sold as-is or converted to vinylcyclohexene dioxide.

Basic Info

Chemical Name

4-Vinyl-1-Cyclohexene

Synonyms

4-Vinyl-1-cyclohexene,stabilized; 4-Vinylcyclohex-1-ene; 4-Vinyl-1-cyclohexene; Cyclohexene, 4-ethenyl-; 4-ethenylcyclohexene;

CAS No.

100-40-3

Molecular Formula

C8H12

Molecular Weight

108.18100

PSA

0.00000

LogP

2.52870

Numbering system

MDL number MFCD00001576
PubChem number 24889964
BRN number 1901553
RTECS number GW6650000
EINECS number 202-848-9

Properties

Appearance & Physical State

Slightly yellow liquid

Density

0.832

Boiling Point

126-127ºC

Melting Point

-101ºC

Flash Point

16ºC

Refractive Index

n20/D 1.463(lit.)

Storage Condition

2-8ºC

Vapor Density

3.76 (vs air)

Vapor Pressure

10.2 mm Hg ( 25 °C)

Safety Info

RTECS

GW6650000

Hazard Class

3.1

Safety Statements

S16-S36/37-S45-S61

HS Code

2902199090

Packing Group

II

WGK Germany

2

RIDADR

UN 1993 3/PG 2

Risk Statements

R11; R38; R40; R52/53

Hazard Codes

F; Xn

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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 4-Vinyl-1-Cyclohexene

1.2 Other means of identification

Product number -
Other names 4-Vinylcyclohex-1-ene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fuels and fuel additives,Intermediates,Solvents (which become part of product formulation or mixture)
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

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

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

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

Storage

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
4-Vinyl-1-Cyclohexene 4-Vinyl-1-Cyclohexene 100-40-3 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

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

Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Exposure can cause irritation of eyes, nose and throat. High concentrations have a narcotic effect. (USCG, 1999)

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

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aliphatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

To fight fire, use foam, CO2, dry chemical.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. Behavior in Fire: Vapors can flow along surfaces to distant ignition source and flash back. (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

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

6.3 Methods and materials for containment and cleaning up

PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/

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 oxidants. Cool. Store only if stabilized.PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

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 Slightly yellow liquid
Colour Liquid
Odour no data available
Melting point/ freezing point -85°C(lit.)
Boiling point or initial boiling point and boiling range 128°C
Flammability Highly flammable.
Lower and upper explosion limit / flammability limit no data available
Flash point 16°C(lit.)
Auto-ignition temperature 269.44°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility 1 to 10 mg/mL at 19.5°C
Partition coefficient n-octanol/water (log value) log Kow = 3.93
Vapour pressure 10.2 mm Hg ( 25 °C)
Density and/or relative density 0.832
Relative vapour density 3.76 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

OXIDIZES IN AIR TO FORM HYDROPEROXIDE

10.3 Possibility of hazardous reactions

FLAMMABLE, DANGEROUS FIRE RISK.The vapour mixes well with air, explosive mixtures are easily formed.VINYLCYCLOHEXENE can react with oxidizing materials. It is also incompatible with peroxide catalysts. Prolonged exposure to oxygen-containing gases leads to discoloration and gum formation. .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Can react with oxidizers.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat (Carworth-Wistar) oral 1.6 g/kg
  • 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

Evaluation: There is inadequate evidence in humans for the carcinogenicity of 4-vinyl-1-cyclohexene. There is sufficient evidence in experimental animals for the carcinogenicity of 4-vinyl-1-cyclohexene. Overall evaluation: 4-Vinyl-1-cyclohexene 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: 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

AEROBIC: 4-Vinylcyclohexene, present at 100 mg/l, reached 0% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/l and the modified Japanese MITI test(1). Therefore, this compound is not expected to biodegrade rapidly in the environment(SRC).

12.3 Bioaccumulative potential

An estimated BCF of 571 was calculated for 4-vinylcyclohexene(SRC), using a log Kow of 3.93(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).

12.4 Mobility in soil

The Koc of 4-vinylcyclohexene is estimated as 3300(SRC), using a measured log Kow of 3.93(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-vinylcyclohexene is expected to have slight mobility in soil(SRC).

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: UN3295 IMDG: UN3295 IATA: UN3295

14.2 UN Proper Shipping Name

ADR/RID: HYDROCARBONS, LIQUID, N.O.S.
IMDG: HYDROCARBONS, LIQUID, N.O.S.
IATA: HYDROCARBONS, LIQUID, N.O.S.

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
4-Vinyl-1-Cyclohexene 4-Vinyl-1-Cyclohexene 100-40-3 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 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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NMR Spectrum 1H NMR : Predict

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100-40-3 NMR spectrum
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GC Analysis

Total 26 Documents >>
Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
Capillary OV-101 100. 838. isothermal
Capillary OV-101 80. 833. isothermal
Capillary Squalane 100. 829.5 isothermal
Capillary Squalane 80. 825.1 isothermal
Capillary SE-54 100. 850.3 isothermal
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 3080 uL/kg 1.Details of toxic effects not reported other than lethal dose value
Inhalation LCLo - Lowest published lethal concentration Rodent - rat 8000 ppm/4H 1.Details of toxic effects not reported other than lethal dose value
Inhalation LC50 - Lethal concentration, 50 percent kill Rodent - mouse 27 gm/m3 1.Details of toxic effects not reported other than lethal dose value
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