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    629-11-8 structure, C6H14O2
    hexane-1,6-diol
    CAS No.: 629-11-8 Formula: C6H14O2 Molecular Weight: 118.17400
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    hexane-1,6-diol

    CAS No.:

    629-11-8

    Formula:

    C6H14O2

    Molecular Weight: 118.17400
    Suppliers: All (182) China Suppliers (122) Price Available (33) Contractor (6)

    Description

    1,6-Hexanediol (HOCH2(CH2)4CH2OH) is a colorless crystalline solid that melts at 42 °C and boils at 250 °C. It is soluble in water and is hygroscopic.

    Basic Info

    Chemical Name

    hexane-1,6-diol

    Synonyms

    1,6-HEXANEDIOL; Hexamethylenediol; 1,6-dihydroxyhexane; 1,6-Hexylene Glycol; Hexamethylene glycol; 1,6-hexandiol; 1,6-hexadiol; 6-hydroxy-1-hexanol; 1,6-Hexanediol solution; Expand

    CAS No.

    629-11-8

    Molecular Formula

    C6H14O2

    Molecular Weight

    118.17400

    PSA

    40.46000

    LogP

    0.53140

    Numbering system

    MDL number MFCD00002985
    EINECS number 211-074-0

    Properties

    Appearance & Physical State

    COLOURLESS CRYSTALS

    Density

    0.96

    Boiling Point

    253-260oC

    Melting Point

    40-43oC

    Flash Point

    147oC

    Refractive Index

    1.457

    Stability

    Stable under normal temperatures and pressures.

    Storage Condition

    2-8oC

    Safety Info

    Safety Statements

    S23-S24/25-S36/37

    HS Code

    2905399090

    Risk Statements

    R36/37/38

    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 12, 2017

    Revision Date: Aug 12, 2017

    1.Identification

    1.1 GHS Product identifier

    Product name hexane-1,6-diol

    1.2 Other means of identification

    Product number -
    Other names 1,6-HEXANEDIOL

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Intermediates,Paint additives and coating additives not described by other categories
    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

    Not classified.

    2.2 GHS label elements, including precautionary statements

    Pictogram(s) No symbol.
    Signal word

    No signal word.

    Hazard statement(s)

    none

    Precautionary statement(s)
    Prevention

    none

    Response

    none

    Storage

    none

    Disposal

    none

    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
    hexane-1,6-diol hexane-1,6-diol 629-11-8 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 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

    Rinse mouth. Give one or two glasses of water to drink.

    4.2 Most important symptoms/effects, acute and delayed

    no data available

    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. /Higher alcohols (>3 carbons) 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

    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

    Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. 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.

    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 CRYSTALS
    Colour Crystals
    Odour no data available
    Melting point/ freezing point 339°C(lit.)
    Boiling point or initial boiling point and boiling range 250°C(lit.)
    Flammability Combustible.
    Lower and upper explosion limit / flammability limit no data available
    Flash point 102°C
    Auto-ignition temperature 320°C
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity no data available
    Solubility Sol in water, alcohol, sparingly soluble in hot ether.
    Partition coefficient n-octanol/water (log value) log Kow = 0.76 at 25°C (est)
    Vapour pressure 0.0005 mm Hg at 25°C
    Density and/or relative density 0.96
    Relative vapour density 4.07 (Air = 1)
    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

    Moderate when exposed to heat or flame.Dust explosion possible if in powder or granular form, mixed with air.

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    no data available

    10.6 Hazardous decomposition products

    When heated to decomposition it emits acrid smoke and fumes.

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Rat oral 3730 mg/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: no data available
    • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (Water flea) >500 mg/L for 24 and 48 hr; Effect: immobilization /Conditions of bioassay not specified in source examined
    • Toxicity to algae: EC50 Scenedesmus subspicatus (Algae) 2200 mg/L for 72 hr; Effect: growth inhibition, biomass /Conditions of bioassay not specified in source examined
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    AEROBIC: 1,6-Hexanediol, present at 20 mg dissolved organic carbon/L, reached between 91 and 98% of its theoretical CO2 evolution in 28 days using a modified Sturm test(1). Using a modified OECD screening test, 1,6-hexanediol reached between 94 and 96% dissolved organic carbon removal after 28 days(1).

    12.3 Bioaccumulative potential

    An estimated BCF of 3.2 was calculated for 1,6-hexanediol(SRC), using an estimated log Kow of 0.76(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 1,6-hexanediol can be estimated to be less than 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,6-hexanediol 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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.2 UN Proper Shipping Name

    ADR/RID: unknown
    IMDG: unknown
    IATA: unknown

    14.3 Transport hazard class(es)

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.4 Packing group, if applicable

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    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
    hexane-1,6-diol hexane-1,6-diol 629-11-8 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 12, 2017
    Revision Date Aug 12, 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 H14 O2 0.038 g : 0.5 ml CDCl3
    1,6-hexanediol

    629-11-8 NMR spectrum

    Assign. Shift(ppm)
    A 1.44
    B 1.57
    C 2.42
    D 3.62

    IR : KBr discExpand
    Mass Expand
    Raman : 4880 A,200 M,powderExpand
    More

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