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    5-hydroxymethylfurfural
    CAS No.: 67-47-0 Formula: C6H6O3 Molecular Weight: 126.11000
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    5-hydroxymethylfurfural

    CAS No.: 67-47-0 Formula: C6H6O3 Molecular Weight: 126.11000
    Suppliers: All (235) China Suppliers (161) Price Available (66) Contractor (7)

    Description

    Hydroxymethylfurfural (HMF), also 5-(Hydroxymethyl)furfural, is an organic compound derived from dehydration of certain sugars. This yellow low-melting solid is highly water-soluble. The molecule consists of a furan ring, containing both aldehyde and alcohol functional groups. HMF has been identified in a wide variety of baked goods. HMF, which is derived from hexoses, is a potential "carbon-neutral" feedstock for fuels and chemicals.

    Basic Info

    Chemical Name 5-hydroxymethylfurfural
    Synonyms

    5-(hydroxymethyl)furan-2-carbaldehyde; 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 5-Hydroxymethylfurfural;

    CAS No. 67-47-0
    Molecular Formula C6H6O3
    Molecular Weight 126.11000
    PSA 50.44000
    LogP 0.58440

    Numbering system

    MDL number MFCD00003234
    EINECS number 200-654-9

    Properties

    Appearance & Physical State Beige Coloured Crystalline Solid
    Density 1.29 g/cm3
    Boiling Point 114-116oC (1 torr)
    Melting Point 30-34oC
    Flash Point 79oC
    Refractive Index 1.5627
    Stability Stable under normal temperatures and pressures.
    Storage Condition 2-8oC

    Safety Info

    RTECS LT7031100
    Safety Statements S24/25
    HS Code 2932190090
    WGK Germany 2
    Packing Group III
    Risk Statements R36/37/38
    Hazard Codes Xi
    Caution Statement P261; P305 + P351 + P338
    Symbol GHS07
    Hazard Declaration H315; H319; H335
    Signal Word Warning
    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 12, 2017

    Revision Date: Aug 12, 2017

    1.Identification

    1.1 GHS Product identifier

    Product name 5-hydroxymethylfurfural

    1.2 Other means of identification

    Product number -
    Other names 5-Hydroxymethylfurfural

    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

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

    2.2 GHS label elements, including precautionary statements

    Pictogram(s) No symbol.
    Signal word

    No signal word.

    Hazard statement(s)

    H412 Harmful to aquatic life with long lasting effects

    Precautionary statement(s)
    Prevention

    P273 Avoid release to the environment.

    Response

    none

    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
    5-hydroxymethylfurfural 5-hydroxymethylfurfural 67-47-0 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

    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

    In case of skin contact

    Wash off with soap and plenty of water. Consult a physician.

    In case of eye contact

    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

    If swallowed

    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

    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 if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the 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. /Poisons A and B/

    5.Fire-fighting measures

    5.1 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

    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

    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

    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

    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 Beige Coloured Crystalline Solid
    Colour Crystalline solid (needles)
    Odour Odor of chamomile flowers
    Melting point/ freezing point 179°C(lit.)
    Boiling point or initial boiling point and boiling range 114-116°C/1mmHg(lit.)
    Flammability no data available
    Lower and upper explosion limit / flammability limit no data available
    Flash point 79°C
    Auto-ignition temperature no data available
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity no data available
    Solubility Freely soluble in methanol, ethanol, acetone, ethyl acetate, dimethylformamide. Soluble in ether, benzene, chloroform. Less soluble in carbon tetrachloride. Sparingly soluble in petroleum ether.
    Partition coefficient n-octanol/water (log value) log Kow = -0.09 (est)
    Vapour pressure 5.28X10-3 mm Hg at 25°C (est)
    Density and/or relative density 1.243g/mLat 25°C(lit.)
    Relative vapour density no data available
    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

    no data available

    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 irritating fumes.

    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: LC50; Species: Daphnia magna (Water Flea) weight 4-5 mg; Conditions: freshwater, static; Concentration: 62000 ug/L for 24 hr (95% confidence interval: 53000-78000 ug/L) /formulation
    • Toxicity to algae: no data available
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    no data available

    12.3 Bioaccumulative potential

    An estimated BCF of 3 was calculated for 5-hydroxymethyl-2-furfuraldehyde(SRC), using an estimated log Kow of -0.09(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 5-hydroxymethyl-2-furfuraldehyde can be estimated to be 2(SRC). According to a classification scheme(2), this estimated Koc value suggests that 5-hydroxymethyl-2-furfuraldehyde 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
    5-hydroxymethylfurfural 5-hydroxymethylfurfural 67-47-0 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 Not Listed.
    New Zealand Inventory of Chemicals (NZIoC) Listed.
    Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
    Vietnam National Chemical Inventory Not 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 : parameter in CDCl3Expand

    NMR Spectrum 1H NMR : parameter in CDCl3

    Collapse

    C6 H6 O3 0.04 ml : 0.5 ml CDCl3
    5-(hydroxymethyl)furfural

    Parameter ppm Hz
    D(A) 9.531

    D(B) 7.230
    D(C) 6.515
    D(D) 4.690
    J(B,C) 3.5
    J(B,D) 0.0
    J(C,D) 0.0

    D(E) 3.73

    IR : liquid filmExpand
    Mass Expand
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