2-Phenylethyl propionate

  • Identifiers

    CAS number
    122-70-3

    Molecular formula
    C11H14O2

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

    Retention indicies (RI)

    • DB5: 1349.5
    • Carbowax: 1855.0

  • Odor profile

    floral 88.21%
    fruity 85.88%
    rose 74.36%
    sweet 73.69%
    honey 65.84%
    balsamic 58.6%
    spicy 47.75%
    green 43.9%
    hyacinth 42.3%
    jasmin 37.84%

    Scent© AI

  • Properties

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

    Molecular weight
    178.23 g/mol

    Melting points

    • < 25 °C

    Boiling points

    • 244.00 to 245.00 °C. @ 760.00 mm Hg

    Solubilities

    • Miscible with alcohols and ether
    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-Phenylethyl propionate
    • 122-70-3
    • Phenethyl propionate
    • Propanoic acid, 2-phenylethyl ester
    • 2-Phenylethyl propanoate
    • Phenylethyl propionate
    • 2-Phenethyl propionate
    • Benzylcarbinyl propionate
    • EcoPCO ACU
    • Phenethyl alcohol, propionate
    • PROPIONIC ACID, PHENETHYL ESTER
    • Phenethyl popanoate
    • Japanese Beetle Bait
    • 2-Phenethylpropionate
    • Caswell No. 655D
    • FEMA No. 2867
    • NSC-404457
    • Phenethyl propanoate
    • ENT 18544
    • phenyl ethyl propionate
    • HSDB 7428
    • UNII-9VFI60EUHW
    • EINECS 204-567-7
    • MFCD00027008
    • EPA Pesticide Chemical Code 102601
    • NSC 404457
    • BRN 2097455
    • phenylethyl propanoate
    • DTXSID6035156
    • AI3-18544
    • Phenylethanol propanoate
    • Phenylethyl n-propionate
    • Propionic acid, 2-phenylethyl ester
    • 2-Phenyl ethyl propanoate
    • 9VFI60EUHW
    • 2-Phenylethanol, propanoate
    • DTXCID4015156
    • FEMA 2867
    • PHENETHYL PROPIONATE [FHFI]
    • PHENETHYL PROPIONATE [HSDB]
    • 3-06-00-01709 (Beilstein Handbook Reference)
    • PHENYL ETHYL PROPIONATE [FCC]
    • Phenethyl propionate (natural)
    • beta-Phenylethyl propionate
    • Propionic Acid 2-Phenylethyl Ester
    • 2Phenethylpropionate
    • 2Phenethyl propionate
    • 2-Phenylethylpropionate
    • 2Phenylethyl propanoate
    • beta -phenylethyl propionate
    • WLN: 2VO2R
    • 2-Phenylethyl propanoic acid
    • .beta.-Phenylethyl propionate
    • SCHEMBL114088
    • Propionic Acid Phenethyl Ester
    • CHEMBL1867360
    • CHEBI:173825
    • Propanoic acid, 2phenylethyl ester
    • AAA12270
    • Phenethyl propionate, >=98%, FG
    • Tox21_300974
    • NSC404457
    • AKOS024319073
    • USEPA/OPP Pesticide Code: 102601
    • NCGC00164415-01
    • NCGC00164415-02
    • NCGC00254876-01
    • AS-62125
    • CAS-122-70-3
    • SY049056
    • DB-041682
    • CS-0152637
    • NS00003358
    • P1823
    • D71192
    • Q4596915
    • PROPANOIC ACID,3-(ETHYL,2-PHENYL) ESTER MFC11 H14 O2
    • PROPANOIC ACID,3-(ETHYL,2-PHENYL) ESTER MFC11 H14 O2
    • 204-567-7
1 4

Botanical

Name CAS Botanical Proportion
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Michelia alba flower absolute (China) Michelia alba DC., fam. Magnoliaceae 0.12%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Cinnamon leaf (India) 1a 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.01%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.2%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.9%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.05%
Nepeta argolica (Greece) 1a chemotype 1 Nepeta argolica Bory & Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.24%