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    butane-1,4-diol
    CAS No.: 110-63-4 Formula: C4H10O2 Molecular Weight: 90.12100
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    butane-1,4-diol

    CAS No.: 110-63-4 Formula: C4H10O2 Molecular Weight: 90.12100
    Suppliers: All (1) China Suppliers (1) Price Available(0) Contractor(0)

    Description

    1,4-Butanediol, colloquially known as BD, is the organic compound with the formula HOCH2CH2CH2CH2OH. This colorless viscous liquid is derived from butane by placement of alcohol groups at each end of the chain. It is one of four stable isomers of butanediol.

    Numbering system

    MDL number MFCD00002968
    RTECS number EK0525000
    PubChem number 24854421
    BRN number 1633445
    EINECS number 203-786-5

    Properties

    Appearance & Physical State viscous colourless liquid
    Density 1.017
    Boiling Point 229.2oC (759.8513 mmHg)
    Melting Point 20oC
    Flash Point 135oC
    Refractive Index 1.4442-1.4462
    Water Solubility Miscible
    Stability Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
    Storage Condition 2-8oC
    Vapor Density 3.1 (vs air)
    Vapor Pressure 0.015mmHg at 25°C

    Safety Info

    RTECS EK0525000
    Hazard Class 6.1
    Safety Statements S36
    HS Code 2905399090
    Packing Group I; II; III
    WGK Germany 1
    Risk Statements R22
    Hazard Codes 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 butane-1,4-diol

    1.2 Other means of identification

    Product number -
    Other names 1,4-Butanediol

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Adhesives and sealant chemicals,CBI,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

    Acute toxicity - Oral, Category 4

    Specific target organ toxicity – single exposure, Category 3

    2.2 GHS label elements, including precautionary statements

    Pictogram(s)
    Signal word

    Warning

    Hazard statement(s)

    H302 Harmful if swallowed

    H336 May cause drowsiness or dizziness

    Precautionary statement(s)
    Prevention

    P264 Wash ... thoroughly after handling.

    P270 Do not eat, drink or smoke when using this product.

    P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

    P271 Use only outdoors or in a well-ventilated area.

    Response

    P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

    P330 Rinse mouth.

    P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

    P312 Call a POISON CENTER/doctor/…if you feel unwell.

    Storage

    P403+P233 Store in a well-ventilated place. Keep container tightly closed.

    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
    butane-1,4-diol butane-1,4-diol 110-63-4 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. Refer for medical attention .

    4.2 Most important symptoms/effects, acute and delayed

    Ingestion of large amounts needed to produce any symptoms. (USCG, 1999)

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

    /SRP:/ 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. /Lower alcohols (1-3 Carbons) and related compounds/

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    To fight fire use alcohol foam, mist, foam, carbon dioxide, dry chemical.

    5.2 Specific hazards arising from the chemical

    Special Hazards of Combustion Products: Carbon dioxide and carbon monoxide may be produced in fire. Behavior in Fire: Unstable with heat; may form flammable tetrahydrofuran at 148.89°C. (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. Wash away remainder with plenty of water.

    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

    Separated from strong oxidants.1,4-Butanediol can be stored indefinitely. The product is noncorrosive and therefore can be transported in cast iron containers. When it is stored for longer periods, storage tanks of steel or aluminum are necessary in order to avoid traces of iron in the product. In this case, a cover of dry nitrogen also is recommended.

    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 viscous colourless liquid
    Colour Colorless, oily liquid
    Odour Almost odorless
    Melting point/ freezing point 455°C(lit.)
    Boiling point or initial boiling point and boiling range 104°C
    Flammability Combustible.
    Lower and upper explosion limit / flammability limit Lower flammable limit: 1.95% by volume; Upper flammable limit: 18.3% by volume
    Flash point 138°C(lit.)
    Auto-ignition temperature 355°C (USCG, 1999)
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity 84.9 milliPascal-sec at 20°C
    Solubility In water:Miscible
    Partition coefficient n-octanol/water (log value) no data available
    Vapour pressure 0.015mmHg at 25°C
    Density and/or relative density 1.017
    Relative vapour density 3.1 (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 when exposed to heat or flame.1,4-BUTANEDIOL is heat and light sensitive. This compound reacts with acid chlorides, acid anhydrides and chloroformates. It also reacts with oxidizing agents and reducing agents. It is incompatible with isocyanates and acids. It is also incompatible with peroxides, perchloric acid, sulfuric acid, hypochlorous acid, nitric acid, caustics, acetaldehyde, nitrogen peroxide and chlorine.

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    Incompatible with oxidizing materials.

    10.6 Hazardous decomposition products

    When heated to decomposition it emits acrid smoke and fumes.

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Rat oral 1780 mg/kg
    • Inhalation: LC50 Rat (Wistar) inhalation >5.1 mg/L/4 hr /from table/
    • 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: EC50 Daphnia magna (Water flea) >1000 mg/L for 48 hr; semi-static; Effect: immobilization /from table
    • Toxicity to algae: EC50 Selenastrum capricornutum (Algae) >1000 mg/L for 72 hr, static; Effect: growth measured by biomass change /from table
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    AEROBIC: 1,4-Butanediol, present at 100 mg/L, reached between 74 and 96 percent of its theoretical biological oxygen demand in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). Under aerobic conditions, the acetic acid bacteria Acetobacter aceti and Gluconobacter oxidans oxidized 1,4-butanediol to succinic acid(2).

    12.3 Bioaccumulative potential

    An estimated BCF of 3.2 was calculated for 1,4-butanediol(SRC), using a log Kow of -0.86(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

    The Koc of 1,4-butanediol is estimated as 8.4(SRC), using a log Kow of -0.84(1)and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,4-butanediol 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: UN1479 IMDG: UN1479 IATA: UN1479

    14.2 UN Proper Shipping Name

    ADR/RID: OXIDIZING SOLID, N.O.S.
    IMDG: OXIDIZING SOLID, N.O.S.
    IATA: OXIDIZING SOLID, N.O.S.

    14.3 Transport hazard class(es)

    ADR/RID: 5.1 IMDG: 5.1 IATA: 5.1

    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
    butane-1,4-diol butane-1,4-diol 110-63-4 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 : 400 MHz in DMSO-d6Expand

    NMR Spectrum 1H NMR : 400 MHz in DMSO-d6

    Collapse

    C4 H10 O2 0.05 ml : 0.5 ml DMSO-d6
    1,4-butanediol

    Assign. Shift(ppm)
    A 4.50
    B 3.408
    C 1.447

    IR : liquid filmExpand
    Mass spectrum (electron ionization)Expand
    Raman : 4880 A,200 M,liquidExpand
    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Unreported LDLo - Lowest published lethal dose Human - woman 300 mg/kg 1.Behavioral-altered sleep time (including change in righting reflex)
    Rectal LDLo - Lowest published lethal dose Human - man 429 mg/kg 1.Details of toxic effects not reported other than lethal dose value
    Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 1525 mg/kg 1.Behavioral-altered sleep time (including change in righting reflex)
    2.Behavioral-somnolence (general depressed activity)
    3.Blood-other changes
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