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    1-Octanol
    CAS No.: 111-87-5 Formula: C8H18O Molecular Weight: 130.22800
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    1-Octanol

    CAS No.: 111-87-5 Formula: C8H18O Molecular Weight: 130.22800
    Suppliers: All (218) China Suppliers (139) Price Available (25) Contractor (13)

    Description

    1-Octanol also known as Octan-1-ol is the organic compound with the molecular formula CH3(CH2)7OH. It is a fatty alcohol. Many other isomers are also known generically as octanols. 1-Octanol is manufactured for the synthesis of esters for use in perfumes and flavorings. Esters of octanol, such as octyl acetate, occur as components of essential oils. It is used to evaluate the lipophilicity of pharmaceutical products.

    Basic Info

    Chemical Name 1-Octanol
    Synonyms

    caprylic alcohol; 1-octyl alcohol; n-Octanol; octan-1-ol; sipoll8; Octilin; Epal 8; caprylic; Capryl Alcohol; OCTANOL; n-octyl alcohol; Lorol 20; Alfol 8; Expand

    CAS No. 111-87-5
    Molecular Formula C8H18O
    Molecular Weight 130.22800
    PSA 20.23000
    LogP 2.33920

    Numbering system

    RTECS number RH6550000
    EINECS number 203-917-6
    MDL number MFCD00002988
    BRN number 1697461

    Properties

    Appearance & Physical State liquid
    Density 0.824
    Boiling Point 195oC
    Melting Point -16oC
    Flash Point 81oC
    Refractive Index 1.428-1.431
    Water Solubility insoluble
    Stability Stable. Flammable. Incompatible with strong oxidizing agents.
    Storage Condition Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
    Vapor Density 4.5 (vs air)
    Vapor Pressure 0.14 mm Hg ( 25 °C)

    Safety Info

    RTECS RH6550000
    Hazard Class 9
    Safety Statements S26-S37/39
    HS Code 2905161000
    WGK Germany 1
    Packing Group III
    RIDADR UN 3082
    Risk Statements R36/38
    Hazard Codes Xi
    Hazard Declaration H319; H412
    Caution Statement P273; P280; P305 + P351 + P338; P337 + P313
    Signal Word Warning
    Symbol GHS07
    SDS 1.0 Expand

    SDS 1.0

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    Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

    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 octan-1-ol

    1.2 Other means of identification

    Product number -
    Other names Alfol 8

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Fragrances
    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

    Eye irritation, Category 2

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

    2.2 GHS label elements, including precautionary statements

    Pictogram(s)
    Signal word

    Warning

    Hazard statement(s)

    H319 Causes serious eye irritation

    H412 Harmful to aquatic life with long lasting effects

    Precautionary statement(s)
    Prevention

    P264 Wash ... thoroughly after handling.

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

    P273 Avoid release to the environment.

    Response

    P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

    P337+P313 If eye irritation persists: Get medical advice/attention.

    Storage

    none

    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
    octan-1-ol octan-1-ol 111-87-5 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.

    In case of skin contact

    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. Give one or two glasses of water to drink.

    4.2 Most important symptoms/effects, acute and delayed

    Irritates skin and eyes. (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 as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on 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. /Higher alcohols (>3 carbons) and related compounds/

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

    5.2 Specific hazards arising from the chemical

    no data available

    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 covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment.

    6.3 Methods and materials for containment and cleaning up

    Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas.; Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.; Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations. 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

    Separated from strong oxidants.Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Combustible liquids

    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 liquid
    Colour Colorless liquid
    Odour Fresh orange rose odor
    Melting point/ freezing point -16°C(lit.)
    Boiling point or initial boiling point and boiling range 196°C(lit.)
    Flammability Combustible.
    Lower and upper explosion limit / flammability limit no data available
    Flash point 80°C
    Auto-ignition temperature 272.78°C
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity 7.288 mPa.s at 25°C
    Solubility In water:insoluble
    Partition coefficient n-octanol/water (log value) log Kow = 3.00
    Vapour pressure 0.14 mm Hg ( 25 °C)
    Density and/or relative density 0.827g/mLat 25°C(lit.)
    Relative vapour density 4.5 (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

    Combustible liquid when exposed to heat or flame...Attacks plastics [Handling Chemicals Safely 1980. p. 236]. Acetyl bromide reacts violently with alcohols or water [Merck 11th ed. 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: an explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid [Chem. Eng. News 45(43):73. 1967; J, Org. Chem. 28:1893. 1963]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites [NFPA 491 M. 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    Can react with oxidizing materials.

    10.6 Hazardous decomposition products

    no data available

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Rat oral >5 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

    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: LC50; Species: Pimephales promelas (Fathead minnow); Conditions: flow-through bioassay with measured concentrations, 25.0°C, dissolved oxygen 5.9 mg/L, hardness 47.6 mg/L calcium carbonate, alkalinity 45.8 mg/L calcium carbonate, and pH 7.64; Concentration: 13.5 mg/L for 96 hr (confidence limit 13.2-13.8 mg/L)
    • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water flea); Conditions: static; Concentration: 26 mg/L for 24 hr; Effect: intoxication, immobilization /formulated product
    • Toxicity to algae: no data available
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    AEROBIC: A number of aerobic biological screening studies, which utilized settled waste water, sewage, or activated sludge for inocula, have demonstrated that 1-octanol is readily biodegradable(1-9). Five day BOD tests show theoretical BODs of 33(1), 37(2) and 62.4%(3). A ring test involving 14 laboratories found a mean degradation of 85% in 28 day test(4). Biodegradation of 1-octanol was 71% after incubation in the dark at 20 degrees C for 7 days using an inoculation with activated sludge and measuring theoretical carbon dioxide evolved(5). Other screening test data yielded a half-life of 22 hours(SRC) based on a first order biodegradation rate of 0.0313/hr(6) for 1-octanol. 1-Octanol, present at 100 mg/L, reached 89% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(7).

    12.3 Bioaccumulative potential

    An estimated BCF of 44 was calculated in fish for 1-octanol(SRC), using a log Kow of 3.00(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

    12.4 Mobility in soil

    The Koc of 1-octanol is reported as 38(1). According to a classification scheme(2), this Koc value suggests that 1-octanol is expected to have very high 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: UN1544 IMDG: UN1544 IATA: UN1544

    14.2 UN Proper Shipping Name

    ADR/RID: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.
    IMDG: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.
    IATA: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.

    14.3 Transport hazard class(es)

    ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

    14.4 Packing group, if applicable

    ADR/RID: III IMDG: III IATA: III

    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
    octan-1-ol octan-1-ol 111-87-5 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 Not 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 H18 O 0.05 ml : 0.5 ml CDCl3
    1-octanol

    Assign. Shift(ppm)
    A 3.604
    B 2.40
    C 1.55 to 1.48
    D 1.29
    E 0.884

    IR : CCl4 solutionExpand
    Mass spectrum (electron ionization)Expand
    Raman : 4880 A,100M,liquidExpand
    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Administration onto the skin Standard Draize test Rodent - rabbit 500 mg/24H -
    Oral LD50 - Lethal dose, 50 percent kill Rodent - rat >3200 mg/kg 1.Details of toxic effects not reported other than lethal dose value
    Inhalation LCLo - Lowest published lethal concentration Rodent - rat 5600 mg/m3/4H 1.Lungs, Thorax, or Respiration-structural or functional change in trachea or bronchi
    2.Lungs, Thorax, or Respiration-chronic pulmonary edema
    3.Blood-hemorrhage
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