Benzyl 3-phenylpropanoate

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  • Identifiers

    CAS number
    22767-96-0

    Molecular formula
    C16H16O2

    SMILES
    C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

  • Odor profile

    Balsamic 78.33%
    Sweet 77.52%
    Floral 71.59%
    Fruity 70.03%
    Rose 65.52%
    Honey 61.78%
    Spicy 53.18%
    Cinnamon 40.76%
    Cocoa 38.13%
    Hyacinth 35.26%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.74 (neutral)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point est.
    169.05 ˚C

  • Synonyms

    • Benzyl 3-phenylpropanoate
    • Benzyl hydrocinnamic acid
    • benzyl 3-phenylpropionate
    • Benzyldihydrocinnamat
    • 3-phenyl-propionic acid benzyl ester
    • Benzyl hydrocinnamate
    • Benzyl 3-phenylpropanoate #
    • SCHEMBL304176
    • benzenepropanoic acid benzyl ester
    • 3-Phenylpropionic acid, benzyl ester

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.98
    methanol 92.73
    isopropanol 21.23
    water 0.2
    ethyl acetate 236.91
    n-propanol 37.64
    acetone 67.43
    n-butanol 31.05
    acetonitrile 169.73
    DMF 133.34
    toluene 66.94
    isobutanol 19.32
    1,4-dioxane 270.0
    methyl acetate 186.8
    THF 255.92
    2-butanone 133.23
    n-pentanol 34.5
    sec-butanol 24.69
    n-hexane 2.26
    ethylene glycol 13.19
    NMP 71.98
    cyclohexane 2.97
    DMSO 213.11
    n-butyl acetate 114.75
    n-octanol 14.85
    chloroform 704.04
    n-propyl acetate 137.01
    acetic acid 103.0
    dichloromethane 869.74
    cyclohexanone 130.3
    propylene glycol 19.6
    isopropyl acetate 108.56
    DMAc 324.26
    2-ethoxyethanol 116.89
    isopentanol 32.23
    n-heptane 3.25
    ethyl formate 93.82
    1,2-dichloroethane 574.67
    n-hexanol 32.64
    2-methoxyethanol 127.15
    isobutyl acetate 78.8
    tetrachloromethane 21.3
    n-pentyl acetate 47.97
    transcutol 784.99
    n-heptanol 16.83
    ethylbenzene 54.97
    MIBK 74.44
    2-propoxyethanol 97.39
    tert-butanol 32.54
    MTBE 51.25
    2-butoxyethanol 60.18
    propionic acid 73.21
    o-xylene 43.67
    formic acid 41.2
    diethyl ether 95.1
    m-xylene 36.54
    p-xylene 55.49
    chlorobenzene 144.44
    dimethyl carbonate 94.59
    n-octane 1.68
    formamide 121.99
    cyclopentanone 155.32
    2-pentanone 90.92
    anisole 171.24
    cyclopentyl methyl ether 65.48
    gamma-butyrolactone 258.41
    1-methoxy-2-propanol 81.88
    pyridine 305.83
    3-pentanone 98.03
    furfural 270.83
    n-dodecane 1.87
    diethylene glycol 72.25
    diisopropyl ether 21.2
    tert-amyl alcohol 32.96
    acetylacetone 198.51
    n-hexadecane 2.2
    acetophenone 155.04
    methyl propionate 142.88
    isopentyl acetate 109.01
    trichloroethylene 971.28
    n-nonanol 16.91
    cyclohexanol 22.94
    benzyl alcohol 82.23
    2-ethylhexanol 29.2
    isooctanol 17.13
    dipropyl ether 60.76
    1,2-dichlorobenzene 164.36
    ethyl lactate 53.15
    propylene carbonate 153.34
    n-methylformamide 86.43
    2-pentanol 19.75
    n-pentane 1.08
    1-propoxy-2-propanol 68.87
    1-methoxy-2-propyl acetate 139.87
    2-(2-methoxypropoxy) propanol 105.41
    mesitylene 24.03
    ε-caprolactone 140.55
    p-cymene 28.67
    epichlorohydrin 496.43
    1,1,1-trichloroethane 201.22
    2-aminoethanol 29.91
    morpholine-4-carbaldehyde 174.51
    sulfolane 226.37
    2,2,4-trimethylpentane 2.48
    2-methyltetrahydrofuran 107.32
    n-hexyl acetate 60.69
    isooctane 1.76
    2-(2-butoxyethoxy)ethanol 138.54
    sec-butyl acetate 94.42
    tert-butyl acetate 99.54
    decalin 6.61
    glycerin 33.54
    diglyme 353.3
    acrylic acid 75.38
    isopropyl myristate 31.15
    n-butyric acid 99.56
    acetyl acetate 161.74
    di(2-ethylhexyl) phthalate 34.02
    ethyl propionate 133.77
    nitromethane 342.67
    1,2-diethoxyethane 204.25
    benzonitrile 121.28
    trioctyl phosphate 18.24
    1-bromopropane 132.1
    gamma-valerolactone 235.79
    n-decanol 13.39
    triethyl phosphate 58.44
    4-methyl-2-pentanol 18.6
    propionitrile 108.33
    vinylene carbonate 161.98
    1,1,2-trichlorotrifluoroethane 209.12
    DMS 111.13
    cumene 34.07
    2-octanol 10.13
    2-hexanone 96.98
    octyl acetate 34.37
    limonene 32.47
    1,2-dimethoxyethane 253.91
    ethyl orthosilicate 54.4
    tributyl phosphate 29.82
    diacetone alcohol 90.61
    N,N-dimethylaniline 89.07
    acrylonitrile 169.75
    aniline 71.09
    1,3-propanediol 41.17
    bromobenzene 162.66
    dibromomethane 404.84
    1,1,2,2-tetrachloroethane 660.18
    2-methyl-cyclohexyl acetate 80.35
    tetrabutyl urea 39.8
    diisobutyl methanol 23.21
    2-phenylethanol 68.83
    styrene 81.19
    dioctyl adipate 61.93
    dimethyl sulfate 138.64
    ethyl butyrate 121.71
    methyl lactate 57.27
    butyl lactate 45.46
    diethyl carbonate 95.9
    propanediol butyl ether 48.81
    triethyl orthoformate 78.25
    p-tert-butyltoluene 25.13
    methyl 4-tert-butylbenzoate 95.01
    morpholine 215.41
    tert-butylamine 16.97
    n-dodecanol 11.04
    dimethoxymethane 180.97
    ethylene carbonate 126.25
    cyrene 84.6
    2-ethoxyethyl acetate 113.17
    2-ethylhexyl acetate 84.69
    1,2,4-trichlorobenzene 176.61
    4-methylpyridine 172.1
    dibutyl ether 47.99
    2,6-dimethyl-4-heptanol 23.21
    DEF 127.92
    dimethyl isosorbide 198.49
    tetrachloroethylene 325.34
    eugenol 92.48
    triacetin 115.64
    span 80 62.01
    1,4-butanediol 21.54
    1,1-dichloroethane 248.12
    2-methyl-1-pentanol 41.95
    methyl formate 80.54
    2-methyl-1-butanol 27.1
    n-decane 2.85
    butyronitrile 82.59
    3,7-dimethyl-1-octanol 24.98
    1-chlorooctane 16.56
    1-chlorotetradecane 8.07
    n-nonane 2.24
    undecane 2.23
    tert-butylcyclohexane 5.76
    cyclooctane 1.33
    cyclopentanol 20.86
    tetrahydropyran 123.57
    tert-amyl methyl ether 45.49
    2,5,8-trioxanonane 231.56
    1-hexene 20.74
    2-isopropoxyethanol 77.97
    2,2,2-trifluoroethanol 44.06
    methyl butyrate 159.38

    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
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 0.5%