2-Phenylethyl butyrate

  • Identifiers

    CAS mumber
    103-52-6

    Molecular formula
    C12H16O2

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

    Retention indicies (RI)

    • DB5: 1440.0
    • Carbowax: 1930.0

  • Properties

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

    Molecular weight
    192.25 g/mol

    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
    • beta-Phenethyl n-butanoate
    • FEMA No. 2861
    • Phenethyl butyrate (natural)
    • beta-Phenylethyl butyrate
    • NSC 1271
    • .beta.-Phenylethyl butyrate
    • EINECS 203-119-8
    • UNII-02E08ZN98R
    • BRN 1955788
    • DTXSID6047604
    • CHEBI:87413
    • AI3-02954
    • butanoic acid 2-phenylethyl ester
    • 02E08ZN98R
    • NSC-1271
    • NSC-406207
    • .beta.-Phenethyl n-butanoate
    • .beta.-Phenylethyl n-butyrate
    • DTXCID4027604
    • PHENETHYL BUTYRATE [FHFI]
    • PHENYLETHYL BUTYRATE [FCC]
    • beta -phenylethyl butyrate
    • beta-Phenylethyl n-butyrate
    • beta -phenethyl N-butanoate
    • beta -phenylethyl N-butyrate
    • SCHEMBL585144
    • CHEMBL3187974
    • FEMA 2861
    • NSC1271
    • AAA10352
    • Tox21_302607
    • NSC406207
    • AKOS015964870
    • Phenethyl butyrate, >=98%, FCC, FG
    • NCGC00256919-01
    • AS-57067
    • CAS-103-52-6
    • DB-040460
    • NS00013111
    • E79212
    • Q10864412
    • 203-119-8
1 3

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%