2-Phenylethyl propionate

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  • 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

    pKa est.
    6.9 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • < 25 °C

    Boiling point

    • 244.00 to 245.00 °C. @ 760.00 mm Hg

    Flash point est.
    113.44 ˚C

    Solubility expt.

    • 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

  • Applications

    Phenethyl propionate (CAS 122-70-3) is a mildly sweet, floral–honey aromatic ester widely employed in the fragrance and cosmetic industry to build top and heart notes in fine perfumes, scented soaps, shower gels, creams, shampoos and deodorants; in the food sector it acts as a flavouring agent for candies, beverages, baked goods and yogurts, imparting a natural fruity sweetness; it is also used as an intermediate in pharmaceutical synthesis, a solvent for printing inks, a carrier in veterinary formulations and a tobacco additive to deepen flavour, thanks to its high safety profile, moderate volatility and excellent compatibility with diverse formulation bases.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 576.03
    methanol 872.69
    isopropanol 290.66
    water 1.3
    ethyl acetate 905.94
    n-propanol 366.73
    acetone 1063.05
    n-butanol 335.42
    acetonitrile 1098.98
    DMF 1471.46
    toluene 302.37
    isobutanol 241.0
    1,4-dioxane 1272.23
    methyl acetate 651.25
    THF 896.71
    2-butanone 703.77
    n-pentanol 300.79
    sec-butanol 262.81
    n-hexane 50.96
    ethylene glycol 121.89
    NMP 886.79
    cyclohexane 50.36
    DMSO 1777.3
    n-butyl acetate 565.53
    n-octanol 92.92
    chloroform 2691.32
    n-propyl acetate 545.05
    acetic acid 1046.0
    dichloromethane 2812.94
    cyclohexanone 859.15
    propylene glycol 128.35
    isopropyl acetate 472.51
    DMAc 1292.1
    2-ethoxyethanol 621.76
    isopentanol 342.24
    n-heptane 18.61
    ethyl formate 392.25
    1,2-dichloroethane 1857.73
    n-hexanol 225.21
    2-methoxyethanol 819.35
    isobutyl acetate 323.89
    tetrachloromethane 188.95
    n-pentyl acetate 237.61
    transcutol 2994.52
    n-heptanol 87.45
    ethylbenzene 187.68
    MIBK 338.62
    2-propoxyethanol 487.74
    tert-butanol 471.55
    MTBE 566.69
    2-butoxyethanol 244.54
    propionic acid 514.92
    o-xylene 183.69
    formic acid 376.31
    diethyl ether 743.3
    m-xylene 176.14
    p-xylene 226.96
    chlorobenzene 609.08
    dimethyl carbonate 315.9
    n-octane 8.5
    formamide 725.18
    cyclopentanone 886.46
    2-pentanone 559.55
    anisole 551.48
    cyclopentyl methyl ether 432.85
    gamma-butyrolactone 1103.49
    1-methoxy-2-propanol 476.82
    pyridine 1026.96
    3-pentanone 490.64
    furfural 1049.24
    n-dodecane 8.67
    diethylene glycol 408.62
    diisopropyl ether 149.6
    tert-amyl alcohol 380.59
    acetylacetone 852.3
    n-hexadecane 10.33
    acetophenone 479.0
    methyl propionate 550.28
    isopentyl acetate 454.16
    trichloroethylene 2922.45
    n-nonanol 88.2
    cyclohexanol 279.79
    benzyl alcohol 340.87
    2-ethylhexanol 153.25
    isooctanol 84.39
    dipropyl ether 233.42
    1,2-dichlorobenzene 597.82
    ethyl lactate 187.24
    propylene carbonate 609.88
    n-methylformamide 617.58
    2-pentanol 204.27
    n-pentane 27.6
    1-propoxy-2-propanol 318.71
    1-methoxy-2-propyl acetate 477.1
    2-(2-methoxypropoxy) propanol 371.48
    mesitylene 113.33
    ε-caprolactone 736.56
    p-cymene 90.48
    epichlorohydrin 1462.17
    1,1,1-trichloroethane 1033.45
    2-aminoethanol 249.93
    morpholine-4-carbaldehyde 1080.12
    sulfolane 1205.31
    2,2,4-trimethylpentane 25.58
    2-methyltetrahydrofuran 628.07
    n-hexyl acetate 321.94
    isooctane 17.97
    2-(2-butoxyethoxy)ethanol 500.45
    sec-butyl acetate 351.37
    tert-butyl acetate 494.02
    decalin 47.89
    glycerin 226.0
    diglyme 1034.45
    acrylic acid 480.23
    isopropyl myristate 125.57
    n-butyric acid 649.67
    acetyl acetate 626.66
    di(2-ethylhexyl) phthalate 132.8
    ethyl propionate 437.35
    nitromethane 1993.42
    1,2-diethoxyethane 776.75
    benzonitrile 475.81
    trioctyl phosphate 80.35
    1-bromopropane 706.41
    gamma-valerolactone 1197.11
    n-decanol 65.9
    triethyl phosphate 187.41
    4-methyl-2-pentanol 134.76
    propionitrile 563.14
    vinylene carbonate 608.84
    1,1,2-trichlorotrifluoroethane 874.89
    DMS 422.8
    cumene 123.54
    2-octanol 63.01
    2-hexanone 466.83
    octyl acetate 150.15
    limonene 130.04
    1,2-dimethoxyethane 1109.33
    ethyl orthosilicate 178.17
    tributyl phosphate 140.13
    diacetone alcohol 420.59
    N,N-dimethylaniline 311.29
    acrylonitrile 806.41
    aniline 417.28
    1,3-propanediol 358.23
    bromobenzene 699.72
    dibromomethane 1622.95
    1,1,2,2-tetrachloroethane 2263.08
    2-methyl-cyclohexyl acetate 268.69
    tetrabutyl urea 167.2
    diisobutyl methanol 97.63
    2-phenylethanol 260.14
    styrene 310.46
    dioctyl adipate 218.69
    dimethyl sulfate 527.78
    ethyl butyrate 378.42
    methyl lactate 228.42
    butyl lactate 193.55
    diethyl carbonate 293.05
    propanediol butyl ether 235.97
    triethyl orthoformate 252.73
    p-tert-butyltoluene 85.05
    methyl 4-tert-butylbenzoate 287.17
    morpholine 1183.96
    tert-butylamine 297.51
    n-dodecanol 51.04
    dimethoxymethane 714.55
    ethylene carbonate 526.72
    cyrene 309.7
    2-ethoxyethyl acetate 445.6
    2-ethylhexyl acetate 356.16
    1,2,4-trichlorobenzene 659.97
    4-methylpyridine 850.09
    dibutyl ether 228.28
    2,6-dimethyl-4-heptanol 97.63
    DEF 840.89
    dimethyl isosorbide 577.3
    tetrachloroethylene 1341.26
    eugenol 306.45
    triacetin 408.75
    span 80 263.22
    1,4-butanediol 156.06
    1,1-dichloroethane 1296.9
    2-methyl-1-pentanol 308.02
    methyl formate 426.49
    2-methyl-1-butanol 298.77
    n-decane 13.58
    butyronitrile 511.45
    3,7-dimethyl-1-octanol 123.61
    1-chlorooctane 83.5
    1-chlorotetradecane 34.79
    n-nonane 12.0
    undecane 10.57
    tert-butylcyclohexane 43.86
    cyclooctane 15.35
    cyclopentanol 230.96
    tetrahydropyran 762.75
    tert-amyl methyl ether 374.47
    2,5,8-trioxanonane 706.87
    1-hexene 226.15
    2-isopropoxyethanol 405.15
    2,2,2-trifluoroethanol 309.19
    methyl butyrate 601.58

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

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%