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    110-19-0 structure, C6H12O2
    isobutyl acetate
    CAS No.: 110-19-0 Formula: C6H12O2 Molecular Weight: 116.15800
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    isobutyl acetate

    CAS No.:

    110-19-0

    Formula:

    C6H12O2

    Molecular Weight: 116.15800
    Suppliers: All (64) China Suppliers (64) Price Available (11) Contractor (8)

    Description

    The chemical compound isobutyl acetate, also known as 2-methylpropyl ethanoate (IUPAC name) or β-methylpropyl acetate, is a common solvent. It is produced from the esterification of isobutanol with acetic acid. It is used as a solvent for lacquer and nitrocellulose. Like many esters it has a fruity or floral smell at low concentrations and occurs naturally in raspberries, pears and other plants. At higher concentrations the odor can be unpleasant and may cause symptoms of central nervous system depression such as nausea, dizziness and headache.
    A common method for preparing isobutyl acetate is Fischer esterification, where precursors isobutyl alcohol and acetic acid are heated in the presence of a strong acid.
    Isobutyl acetate has three isomers: n-butyl acetate, tert-butyl acetate, and sec-butyl acetate, which are also common solvents.

    Basic Info

    Chemical Name

    isobutyl acetate

    Synonyms

    Isobutyl Acetate; Acetic acid, 2-methylpropyl ester; 2-methylpropyl acetate; Acetic Acid Isobutyl Ester;

    CAS No.

    110-19-0

    Molecular Formula

    C6H12O2

    Molecular Weight

    116.15800

    PSA

    26.30000

    LogP

    1.20550

    Numbering system

    MDL number MFCD00008932
    EINECS number 203-745-1
    PubChem number 24890060
    RTECS number AI4025000
    BRN number 1741909

    Properties

    Appearance & Physical State

    Clear liquid

    Density

    0.873

    Boiling Point

    116-117.5oC

    Melting Point

    -99oC

    Flash Point

    18oC

    Refractive Index

    1.389-1.391

    Water Solubility

    7 g/L (20 oC)

    Storage Condition

    Flammables area

    Vapor Density

    >4 (vs air)

    Vapor Pressure

    15 mm Hg ( 20 °C)

    Safety Info

    RTECS

    AI4025000

    Hazard Class

    3

    Safety Statements

    S16-S23-S25-S29-S33

    HS Code

    2915390090

    WGK Germany

    1

    Packing Group

    II

    RIDADR

    UN 1213

    Risk Statements

    R11; R66

    Hazard Codes

    F

    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 isobutyl acetate

    1.2 Other means of identification

    Product number -
    Other names Isobutyl Acetate

    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

    Flammable liquids, Category 2

    2.2 GHS label elements, including precautionary statements

    Pictogram(s)
    Signal word

    Danger

    Hazard statement(s)

    H225 Highly flammable liquid and vapour

    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.

    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.

    Storage

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

    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
    isobutyl acetate isobutyl acetate 110-19-0 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

    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. Refer for medical attention .

    4.2 Most important symptoms/effects, acute and delayed

    Vapors may irritate upper respiratory tract and cause nausea, vomiting, dizziness and loss of consciousness. Liquid irritates eyes and may irritate skin. (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. /Esters and related compounds/

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

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

    5.2 Specific hazards arising from the chemical

    Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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. (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. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

    6.3 Methods and materials for containment and cleaning up

    1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quant, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected and atomized in a suitable combustion chamber. Isobutyl acetate should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion.

    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, strong bases and strong acids.... MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED ...

    8.Exposure controls/personal protection

    8.1 Control parameters

    Occupational Exposure limit values

    Recommended Exposure Limit: 10 Hour Time-Weighted Average: 150 ppm (700 mg/cu m).

    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 Clear liquid
    Colour Colorless liquid
    Odour Fruit-like odor
    Melting point/ freezing point 95°C(lit.)
    Boiling point or initial boiling point and boiling range 117°C
    Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable.
    Lower and upper explosion limit / flammability limit Lower flammable limit: 1.3% by volume; Upper flammable limit: 10.5% by volume
    Flash point 21°C(lit.)
    Auto-ignition temperature 422.78°C (USCG, 1999)
    Decomposition temperature no data available
    pH Neutral
    Kinematic viscosity 0.676 mPa s at 25°C; 0.493 mPa s at 50°C; 0.370 mPa s at 75°C; 0.286 mPa s at 100°C
    Solubility In water:7 g/L (20 oC)
    Partition coefficient n-octanol/water (log value) log Kow = 1.78
    Vapour pressure 15 mm Hg ( 20 °C)
    Density and/or relative density 0.873
    Relative vapour density >4 (vs air)
    Particle characteristics no data available

    10.Stability and reactivity

    10.1 Reactivity

    no data available

    10.2 Chemical stability

    Heat /contributes to instability/.

    10.3 Possibility of hazardous reactions

    A very dangerous fire and moderate explosion hazard when exposed to heat, flame, or oxidizers.The vapour mixes well with air, explosive mixtures are easily formed.ISOBUTYL ACETATE reacts exothermically with acids to give alcohols and other acids. May react sufficiently exothermically with strong oxidizing acids to ignite the reaction products. Reactions with bases also generate heat. Combination with strong reducing agents (alkali metals and hydrides) generates flammable hydrogen.

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    Contact with nitrates, strong oxidizers, strong alkalies, and strong acids may cause fires and explosions.

    10.6 Hazardous decomposition products

    When heated to decomposition it emits acrid smoke and fumes.

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Rat oral >3200 mg/kg bw
    • Inhalation: LC50 Rat inhalation > 14.72 mg/L /6 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

    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: LC50; Species: Daphnia magna (Water Flea) age < or =24 hr; Conditions: freshwater, static, 20-22°C; Concentration: 250000 ug/L for 24 hr /formulation
    • Toxicity to algae: LC50; Species: Chlorococcales (Green Algae Order); Conditions: freshwater, static; Concentration: 600000 ug/L for 24 hr /formulation
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    AEROBIC: Using a filtered sewage seed, isobutyl acetate 5- and 20-day theoretical BOD's of 60% and 81%, respectively, were measured in fresh water dilution tests(1); 5- and 20-day theoretical BOD's of 23% and 37%, respectively, were measured in salt water(1).

    12.3 Bioaccumulative potential

    An estimated BCF of 7 was calculated in fish for isobutyl acetate(SRC), using a log Kow of 1.78(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

    12.4 Mobility in soil

    Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl acetate can be estimated to be 16(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl acetate is expected to have very 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: UN1213 IMDG: UN1213 IATA: UN1213

    14.2 UN Proper Shipping Name

    ADR/RID: ISOBUTYL ACETATE
    IMDG: ISOBUTYL ACETATE
    IATA: ISOBUTYL ACETATE

    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
    isobutyl acetate isobutyl acetate 110-19-0 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

    C6 H12 O2 10.0 mol% in CDCl3
    isobutyl acetate

    110-19-0 NMR spectrum

    Assign. Shift(ppm)
    A 0.94
    B 1.93
    C 2.054
    D 3.849

    IR : CCl4 solutionExpand
    Mass spectrum (electron ionization)Expand
    Raman : 4880 A,200 M,liquidExpand
    More
    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 13400 mg/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
    Oral LD50 - Lethal dose, 50 percent kill Rodent - rabbit 4763 mg/kg 1.Details of toxic effects not reported other than lethal dose value
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