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    oct-1-ene
    CAS No.: 111-66-0 Formula: C8H16 Molecular Weight: 112.21300
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    oct-1-ene

    CAS No.: 111-66-0 Formula: C8H16 Molecular Weight: 112.21300
    Suppliers: All (31) China Suppliers (31) Price Available (8) Contractor (2)

    Description

    1-Octene is an organic compound with a formula CH2CHC6H13. The alkene is classified as a higher olefin and alpha-olefin, meaning that the double bond is located at the alpha (primary) position, endowing this compound with higher reactivity and thus useful chemical properties. 1-Octene is one of the important linear alpha olefins in industry. It is a colourless liquid.

    Basic Info

    Chemical Name oct-1-ene
    Synonyms

    1-OCTENE; CAPRYLENE; 1-0ctene; Octylene; methyl heptene; Octen; OCTEN-1; Neodene 8; C6H13-CH=CH2; OCTENE-1; 1-C8H16; I-Octen; Expand

    CAS No. 111-66-0
    Molecular Formula C8H16
    Molecular Weight 112.21300
    PSA 0.00000
    LogP 3.14280

    Numbering system

    EINECS number 203-893-7
    MDL number MFCD00009548
    RTECS number RH2207000
    PubChem number 24886756
    BRN number 1734497

    Properties

    Appearance & Physical State colourless liquid
    Density 0.715
    Boiling Point 121-123oC
    Melting Point -102oC
    Flash Point 13oC
    Refractive Index n20/D 1.408(lit.)
    Stability Stable. Highly flammable. Incompatible with strong oxidizing agents, acids.
    Storage Condition Refrigerator
    Vapor Density 3.9 (vs air)
    Vapor Pressure 36 mm Hg ( 38 °C)

    Safety Info

    RTECS RH2207000
    Hazard Class 3
    Safety Statements S16-S33-S62-S9
    HS Code 2901299090
    Packing Group II
    WGK Germany 1
    RIDADR UN 3295 3/PG 2
    Risk Statements R11; R65
    Hazard Codes F; Xn
    SDS 1.0 Expand

    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 oct-1-ene

    1.2 Other means of identification

    Product number -
    Other names 1-OCTENE

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Food additives -> Flavoring Agents
    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 2

    Aspiration hazard, Category 1

    Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

    Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

    2.2 GHS label elements, including precautionary statements

    Pictogram(s)
    Signal word

    Danger

    Hazard statement(s)

    H225 Highly flammable liquid and vapour

    H304 May be fatal if swallowed and enters airways

    H400 Very toxic to aquatic life

    H410 Very toxic 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.

    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.

    P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

    P331 Do NOT induce vomiting.

    P391 Collect spillage.

    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
    oct-1-ene oct-1-ene 111-66-0 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.

    In case of skin contact

    Remove contaminated clothes. Rinse and then wash skin with water and soap.

    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.

    4.2 Most important symptoms/effects, acute and delayed

    Generally low toxicity. Mildly anesthetic at high vapor concentrations. May irritate eyes. (USCG, 1999)

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

    Absorption, Distribution and Excretion

    All octenes are metabolically hydroxylated, conjugated, and excreted from the mammalian system. /Octenes/

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    FOAM, CARBON DIOXIDE, DRY CHEMICAL.

    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)

    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. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in covered 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. Do NOT let this chemical enter the environment.

    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. Separated from strong oxidants. Keep in the dark. Cool. Store in an area without drain or sewer access.... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF THE DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED & MONITORED.

    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
    Colour Colorless liquid
    Odour no data available
    Melting point/ freezing point -8°C(lit.)
    Boiling point or initial boiling point and boiling range 123°C
    Flammability Highly flammable.
    Lower and upper explosion limit / flammability limit no data available
    Flash point 10°C(lit.)
    Auto-ignition temperature 256.11°C (USCG, 1999)
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity 0.656 cSt at 20°C
    Solubility Miscible with ethanol, ether
    Partition coefficient n-octanol/water (log value) log Kow= 4.57
    Vapour pressure 36 mm Hg ( 38 °C)
    Density and/or relative density 0.715
    Relative vapour density 3.9 (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

    FIRE HAZARD: DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME OR OXIDIZERS.The vapour mixes well with air, explosive mixtures are easily formed. As a result of flow, agitation, etc., electrostatic charges can be generated.1-OCTENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    DISASTER HAZARD: DANGEROUS, UPON EXPOSURE TO HEAT OR FLAME; CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS.

    10.6 Hazardous decomposition products

    no data available

    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

    no data available

    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: Pure culture studies using Cornynebacterium sp(1) and various strains of Pseudomonas(2-5) were found to oxidize 1-octene indicating that it has the potential to biodegrade under aerobic conditions(SRC). 1,2-Epoxyoctane was identified as a product of the pure culture oxidations(5,6).

    12.3 Bioaccumulative potential

    An estimated BCF of 660 was calculated for 1-octene(SRC), using a log Kow of 4.57(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.

    12.4 Mobility in soil

    Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-octene can be estimated to be 510(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-octene is expected to have a low to moderate 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: 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: yes IMDG: yes IATA: yes

    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
    oct-1-ene oct-1-ene 111-66-0 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 Expand
    1H NMR : 90 MHz in CDCl3Expand

    NMR Spectrum 1H NMR : 90 MHz in CDCl3

    Collapse

    C8 H16 10.0 mol% in CDCl3
    1-octene

    Assign. Shift(ppm)
    A 5.770
    B 4.97
    C 4.91
    D 2.02
    E 1.53 to 1.04
    F 0.87

    IR : CCl4 solutionExpand
    Mass Expand
    Raman : 4880 A,200 M,liquidExpand
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