Acetoxyacetone

  • Identifiers

    CAS number
    592-20-1

    Molecular formula
    C5H8O3

    SMILES
    CC(=O)COC(=O)C
    OOO

    Retention indicies (RI)

    • Carbowax: 1467.0

  • Odor profile

    fruity 90.62%
    caramellic 66.87%
    sweet 62.35%
    ethereal 58.84%
    buttery 49.97%
    rummy 45.98%
    winey 41.87%
    apple 40.94%
    nutty 40.9%
    pungent 40.76%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.1 Well soluble in ETH, DPG, PG

    Molecular weight
    116.11 g/mol

    Vapor pressure est.

    • 2.068 hPa @ 20°C
    • 2.9217 hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling points

    • 66.00 °C. @ 12.00 mm Hg

    Solubilities

    • slightly

  • Synonyms

    • Acetoxyacetone
    • 2-Oxopropyl acetate
    • 592-20-1
    • Acetonyl acetate
    • Acetol acetate
    • Acetoxypropanone
    • O-Acetylacetol
    • Acetylmethyl acetate
    • 1-Acetoxyacetone
    • Acetoxy-2-propanone
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.93%