Phenethyl butyrate

  • Identifiers

    CAS number
    103-52-6

    Molecular formula
    C12H16O2

    SMILES
    CCCC(=O)OCCC1=CC=CC=C1
    OO

    Retention indicies (RI)

    • DB5: 1440.0
    • Carbowax: 1930.0

  • Odor profile

    fruity 87.95%
    floral 84.51%
    sweet 77.54%
    rose 72.33%
    honey 62.33%
    balsamic 50.6%
    green 49.77%
    pineapple 43.6%
    apple 43.47%
    spicy 41.71%

    Scent© AI

  • Properties

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

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • 0.0061 hPa @ 20°C
    • 0.0102 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling points

    • 238.00 °C. @ 760.00 mm Hg

    Solubilities

    • very slightly
    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Phenethyl butyrate
    • 103-52-6
    • 2-Phenylethyl butanoate
    • Phenylethyl butyrate
    • Butanoic acid, 2-phenylethyl ester
    • 2-Phenethyl butanoate
    • Benzylcarbinyl butyrate
    • Phenethyl butanoate
    • 2-Phenylethyl butyrate
    • BUTYRIC ACID, PHENETHYL ESTER
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Genet headspace 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 1.1%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.06%
Geranium (Algeria) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.3%
Geranium, Bourbon 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.16%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (China) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.37%
Geranium (Egypt) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.06%
Geranium (Morocco) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.55%
Geranium (India) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.16%
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 1.3%
Geranium (Egypt) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.51%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.1%
Artemisia afra Willd. (Kenia) Artemisia afra Willd., fam. Asteraceae (Compositae) 0.01%
Narcissus tazetta (var. chinensis) 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amaryllidaceae 0.01%
Lecythis usitata var. paraensis flower Lecythis usitata Miers. var. paraensis (Ducke) R. Kunth. fam. Lecythidacea 0.1%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Pinus pinea (Morocco) needle Pinus pinea L., fam. Pinaceae 4.3%
Parsnip (USA) fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.5%
Geranium (India) 12c Genotype 3 'Kelkar' 8000-46-2 Pelargonium species, fam. Geraniaceae 4.6%