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  • 2,5-Dimethylterephthalic acid

  • 2,5-Dimethylterephthalic acid

    Catalog Number
    ACM6051667-2
    Product Name
    2,5-Dimethylterephthalic acid
    Structure
    CAS
    6051-66-7
    Category
    Monomers
    Synonyms
    2,5-Dimethyl-1,4-benzenedicarboxylic acid; 2,5-dimethylbenzene-1,4-dicarboxylic acid
    IUPAC Name
    2,5-dimethylterephthalic acid
    Molecular Weight
    194.18
    Molecular Formula
    C10H10O4
    Canonical SMILES
    CC1=CC(=C(C=C1C(=O)O)C)C(=O)O
    InChI
    InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
    InChI Key
    FKUJGZJNDUGCFU-UHFFFAOYSA-N
    Boiling Point
    386.8±30.0 °C(Predicted)
    Melting Point
    283 °C (dec.)
    Purity
    98%
    Density
    1.320±0.06 g/cm3(Predicted)
    Appearance
    White solid
    Complexity
    223
    Covalently-Bonded Unit Count
    1
    Exact Mass
    194.057909g/mol
    Formal Charge
    0
    Hazard Statements
    H315 : Causes skin irritation.H319 : Causes serious eye irritation.
    Heavy Atom Count
    14
    MDL Number
    MFCD00020292
    Monoisotopic Mass
    194.057909g/mol
    NSC Number
    174018
    Precautionary Statements
    P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
    Rotatable Bond Count
    2
    Signal Word
    Warning
    XLogP3
    1.7
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