5-Hydroxymethylfurfural

  • Identifiers

    CAS number
    67-47-0

    Molecular formula
    C6H6O3

    SMILES
    C1=C(OC(=C1)C=O)CO
    OOHO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    caramellic 79.77%
    sweet 79.53%
    fatty 52.64%
    buttery 49.35%
    creamy 44.88%
    nutty 43.5%
    burnt 40.13%
    musty 40.11%
    herbal 40.02%
    oily 39.85%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.6 Well soluble in DPG, PG, ETH

    Molecular weight
    126.11 g/mol

    Vapor pressure est.

    • 0.0004 hPa @ 20°C
    • 0.0007 hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Melting point expt.

    • 31.5 °C
    • 35 - 35.5 °C

    Boiling point expt.

    • BP: 115 °C at 1 mm Hg
    • 114.00 to 116.00 °C. @ 1.00 mm Hg

    Solubility expt.

    • Freely soluble in methanol, ethanol, acetone, ethyl acetate, dimethylformamide. Soluble in ether, benzene, chloroform. Less soluble in carbon tetrachloride. Sparingly soluble in petroleum ether.
    • Soluble in common organic solvents

  • Synonyms

    • 5-HYDROXYMETHYLFURFURAL
    • 67-47-0
    • 5-Hydroxymethyl-2-furaldehyde
    • 5-(hydroxymethyl)furan-2-carbaldehyde
    • 5-(Hydroxymethyl)furfural
    • 5-(Hydroxymethyl)-2-furaldehyde
    • Hydroxymethylfurfural
    • 5-(Hydroxymethyl)-2-furfural
    • 5-Oxymethylfurfurole
    • Hydroxymethylfurfurole
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.9%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.07%