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2,5-hexanedione

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Origin: China

Cas No: 110-13-4

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 100 mt/month

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  • Products Specification
  • Product Description

  • Property

    CAS No.: 110-13-4 Formula: C6H10O2 Molecular Weight: 114.14200

    Description

    2,5-Hexanedione (Acetonylacetone) is an aliphatic diketone. In human, it is a toxic metabolite of hexane and of 2-hexanone.

    Basic Info

    Chemical Name 2,5-hexanedione
    Synonyms

    hexane-2,5-dione;
    1,2-Diacetylethane;
    2,5-Hexanedione;
    Acetonylacetone;
    2,5-Hexadione;

    CAS No. 110-13-4
    Molecular Formula C6H10O2
    Molecular Weight 114.14200
    PSA 34.14000
    LogP 0.94460

    Properties

    Appearance & Physical State clear slight brown liquid
    Density 0.973
    Boiling Point 185-193ºC
    Melting Point -6ºC
    Flash Point 78ºC
    Refractive Index 1.425-1.427
    Water Solubility miscible
    Stability Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable.
    Storage Condition Keep away from heat, sparks, and flame. Store in a cool, dry place. Keep container closed when not in use. Flammables-area.
    Vapor Pressure 0.43 mm Hg ( 20 °C)

    Safety Info

    RTECS MO3150000
    Safety Statements S26-S37/39
    HS Code 2942000000
    Packing Group I; II; III
    WGK Germany 2
    Risk Statements R36/37/38
    Hazard Codes Xi

    Synthesis Route

    Methanol→oxane+2-METHYLTETRAHYDROPYRAN
    2-Aminopyridine+3-Hexyn-2,5-diol→2-(2,5-dimethylpyrrol-1-yl)pyridine+2,5-hexanedione
    2-Aminopyridine+3-Hexyn-2,5-diol→2,5-Dimethylfuran+2-(2,5-dimethylpyrrol-1-yl)pyridine

    GC Analysis

    Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
    Packed SE-30 150. 906. isothermal
    Capillary DB-5 - 920. temperature ramp
    Capillary CP-WAX 57CB - 1485. temperature ramp
    Capillary HP-5 MS - 931. temperature ramp
    Capillary SLB-5MS - 932. temperature ramp

    Toxicity

    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Administration into the eye Standard Draize test Rodent - rabbit 100 mg -
    Administration into the eye Standard Draize test Rodent - rabbit 100 mg/24H -
    Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 2076 mg/kg 1.Details of toxic effects not reported other than lethal dose value

    Precursor

    hexa-1,5-diene
    tributyl(prop-1-en-2-yloxy)stannane
    5-nitrohexan-2-one
    chloroacetone

    Downstream Product

    2-(2,5-dimethylpyrrol-1-yl)pyridine
    1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
    2,5-Hexanedione Monoethylene Ketal
    2-(2,5-dimethylpyrrol-1-yl)acetic acid

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