• Identifiers

    CAS number
    616-02-4

    Molecular formula
    C5H4O3

    SMILES
    CC1=CC(=O)OC1=O
    OOO

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    caramellic 69.18%
    sweet 67.39%
    burnt 55.65%
    nutty 44.79%
    coumarinic 37.78%
    tobacco 36.7%
    buttery 36.47%
    sharp 32.33%
    coconut 31.15%
    roasted 29.07%

    Scent© AI

  • Properties

    XLogP3-AA
    0.2 Well soluble in TEC, MMB, IAA

    Molecular weight
    112.08 g/mol

    Vapor pressure est.

    • 0.1009 hPa @ 20°C
    • 0.1542 hPa @ 25°C

    Evaporation rate
    Moderate

    Melting points

    • 7-8 °C

    Boiling points

    • 213-214 °C @ 760 MM HG

    Solubilities

    • SOL IN ALCOHOL, ETHER, ACETONE

  • Synonyms

    • Citraconic anhydride
    • 616-02-4
    • 3-methylfuran-2,5-dione
    • 2,5-Furandione, 3-methyl-
    • 2-Methylmaleic anhydride
    • METHYLMALEIC ANHYDRIDE
    • 3-Methylmaleic anhydride
    • Citraconic acid anhydride
    • Monomethylmaleic anhydride
    • Maleic anhydride, methyl-
NaN of -Infinity
Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 7.84%