2-Ethylhexanal

  • Identifiers

    CAS number
    123-05-7

    Molecular formula
    C8H16O

    SMILES
    CCCCC(CC)C=O
    O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • Carbowax: 1216.0

  • Odor profile

    fruity 78.92%
    green 69.3%
    fatty 53.76%
    fresh 47.42%
    cheesy 44.31%
    sweet 43.08%
    aldehydic 37.06%
    citrus 35.81%
    herbal 34.77%
    pungent 30.0%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6 Well soluble in DEP, IAA, BB

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • 2.6615 hPa @ 20°C
    • 3.7221 hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    159°C

    Melting point expt.

    • less than -100 °C
    • -85 °C

    Boiling point expt.

    • 326.1 °F at 760 mmHg (NTP, 1992)
    • 163 °C

    Flash point expt.

    • 125 °F (NTP, 1992)
    • 46 °C
    • 112 °F (44 °C) (Closed cup)
    • 46 °C c.c., 52 °C o.c.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Miscible with most organic solvents
    • Slightly soluble in carbon tetrachloride; soluble in ethanol and ether
    • In water, less than 0.5 g/100g at 25 °C
    • In water, 400 ppm at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.07

  • Synonyms

    • 2-Ethylhexanal
    • 123-05-7
    • Hexanal, 2-ethyl-
    • 2-Ethylhexaldehyde
    • 3-Formylheptane
    • 2-Ethylcaproaldehyde
    • 2-Ethylhexylaldehyde
    • Butylethylacetaldehyde
    • Ethylbutylacetaldehyde
    • ETHYLHEXALDEHYDE
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Clover, white flower (Austria) Trifolium repens L., fam Liguminosae (Papilionaceae) 0.9%
Clover, red flower (Austria) 85085-25-2 Trifolium pratense L., fam. Leguminosae (Papilionaceae) 0.2%