3-Phenyl-propanoic acid propyl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C12H16O2

    SMILES
    CCCOC(=O)CCC1=CC=CC=C1

  • Odor profile

    Fruity 83.81%
    Sweet 82.17%
    Floral 77.75%
    Balsamic 66.84%
    Rose 66.23%
    Honey 63.34%
    Spicy 46.66%
    Cocoa 39.89%
    Apricot 37.97%
    Winey 34.97%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.33 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    123.94 ˚C

  • Synonyms

    • 3-phenyl-propanoic acid propyl ester
    • 13326-06-2
    • Propyl 3-phenyl propionate
    • SCHEMBL3851800
    • PKIACAVLEKTYRW-UHFFFAOYSA-N
    • DTXSID201030325
    • AKOS008947910

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1032.48
    methanol 1482.16
    isopropanol 447.6
    water 0.32
    ethyl acetate 1203.05
    n-propanol 578.28
    acetone 1290.67
    n-butanol 512.69
    acetonitrile 1396.79
    DMF 1400.36
    toluene 376.88
    isobutanol 366.75
    1,4-dioxane 1311.98
    methyl acetate 942.47
    THF 942.6
    2-butanone 926.57
    n-pentanol 436.76
    sec-butanol 375.23
    n-hexane 44.22
    ethylene glycol 132.85
    NMP 717.09
    cyclohexane 51.19
    DMSO 1751.62
    n-butyl acetate 819.86
    n-octanol 146.27
    chloroform 2755.01
    n-propyl acetate 712.08
    acetic acid 805.12
    dichloromethane 3351.09
    cyclohexanone 997.37
    propylene glycol 164.12
    isopropyl acetate 570.15
    DMAc 1223.7
    2-ethoxyethanol 719.34
    isopentanol 449.76
    n-heptane 22.08
    ethyl formate 585.47
    1,2-dichloroethane 2001.96
    n-hexanol 386.01
    2-methoxyethanol 908.43
    isobutyl acetate 416.81
    tetrachloromethane 178.09
    n-pentyl acetate 309.2
    transcutol 2752.55
    n-heptanol 130.27
    ethylbenzene 240.19
    MIBK 412.26
    2-propoxyethanol 681.05
    tert-butanol 507.6
    MTBE 606.84
    2-butoxyethanol 318.31
    propionic acid 492.37
    o-xylene 210.12
    formic acid 242.57
    diethyl ether 908.39
    m-xylene 213.85
    p-xylene 268.96
    chlorobenzene 648.41
    dimethyl carbonate 311.61
    n-octane 12.19
    formamide 458.75
    cyclopentanone 946.78
    2-pentanone 753.25
    anisole 584.1
    cyclopentyl methyl ether 451.08
    gamma-butyrolactone 1020.0
    1-methoxy-2-propanol 585.77
    pyridine 1164.35
    3-pentanone 560.35
    furfural 962.42
    n-dodecane 13.34
    diethylene glycol 465.21
    diisopropyl ether 163.72
    tert-amyl alcohol 426.2
    acetylacetone 852.39
    n-hexadecane 15.63
    acetophenone 523.34
    methyl propionate 673.6
    isopentyl acetate 627.82
    trichloroethylene 3099.89
    n-nonanol 133.17
    cyclohexanol 320.25
    benzyl alcohol 398.86
    2-ethylhexanol 235.48
    isooctanol 118.81
    dipropyl ether 300.77
    1,2-dichlorobenzene 607.38
    ethyl lactate 219.77
    propylene carbonate 615.88
    n-methylformamide 630.09
    2-pentanol 299.76
    n-pentane 26.44
    1-propoxy-2-propanol 447.14
    1-methoxy-2-propyl acetate 564.33
    2-(2-methoxypropoxy) propanol 396.2
    mesitylene 127.0
    ε-caprolactone 778.1
    p-cymene 111.77
    epichlorohydrin 1561.3
    1,1,1-trichloroethane 1087.9
    2-aminoethanol 295.92
    morpholine-4-carbaldehyde 888.85
    sulfolane 997.07
    2,2,4-trimethylpentane 23.53
    2-methyltetrahydrofuran 687.96
    n-hexyl acetate 423.31
    isooctane 18.82
    2-(2-butoxyethoxy)ethanol 554.07
    sec-butyl acetate 446.64
    tert-butyl acetate 518.76
    decalin 48.95
    glycerin 209.27
    diglyme 1064.64
    acrylic acid 411.16
    isopropyl myristate 153.77
    n-butyric acid 764.52
    acetyl acetate 640.24
    di(2-ethylhexyl) phthalate 149.82
    ethyl propionate 534.93
    nitromethane 1578.89
    1,2-diethoxyethane 887.21
    benzonitrile 567.85
    trioctyl phosphate 97.13
    1-bromopropane 865.78
    gamma-valerolactone 1154.16
    n-decanol 98.99
    triethyl phosphate 190.95
    4-methyl-2-pentanol 174.88
    propionitrile 785.87
    vinylene carbonate 628.27
    1,1,2-trichlorotrifluoroethane 778.44
    DMS 433.74
    cumene 144.71
    2-octanol 93.36
    2-hexanone 604.66
    octyl acetate 189.57
    limonene 160.06
    1,2-dimethoxyethane 1173.89
    ethyl orthosilicate 182.9
    tributyl phosphate 151.9
    diacetone alcohol 449.86
    N,N-dimethylaniline 323.95
    acrylonitrile 985.94
    aniline 437.65
    1,3-propanediol 426.76
    bromobenzene 775.84
    dibromomethane 1880.44
    1,1,2,2-tetrachloroethane 2279.3
    2-methyl-cyclohexyl acetate 302.93
    tetrabutyl urea 191.12
    diisobutyl methanol 119.96
    2-phenylethanol 347.17
    styrene 370.69
    dioctyl adipate 242.92
    dimethyl sulfate 421.01
    ethyl butyrate 491.98
    methyl lactate 235.28
    butyl lactate 235.82
    diethyl carbonate 346.54
    propanediol butyl ether 296.23
    triethyl orthoformate 286.57
    p-tert-butyltoluene 102.65
    methyl 4-tert-butylbenzoate 300.97
    morpholine 1331.62
    tert-butylamine 297.11
    n-dodecanol 76.27
    dimethoxymethane 842.67
    ethylene carbonate 529.48
    cyrene 289.56
    2-ethoxyethyl acetate 513.1
    2-ethylhexyl acetate 467.73
    1,2,4-trichlorobenzene 655.59
    4-methylpyridine 1051.73
    dibutyl ether 298.52
    2,6-dimethyl-4-heptanol 119.96
    DEF 891.55
    dimethyl isosorbide 565.28
    tetrachloroethylene 1253.86
    eugenol 333.16
    triacetin 432.27
    span 80 286.29
    1,4-butanediol 203.24
    1,1-dichloroethane 1507.91
    2-methyl-1-pentanol 409.47
    methyl formate 470.55
    2-methyl-1-butanol 402.51
    n-decane 20.63
    butyronitrile 764.72
    3,7-dimethyl-1-octanol 174.24
    1-chlorooctane 127.24
    1-chlorotetradecane 50.78
    n-nonane 18.52
    undecane 16.2
    tert-butylcyclohexane 44.56
    cyclooctane 15.19
    cyclopentanol 268.81
    tetrahydropyran 930.23
    tert-amyl methyl ether 387.73
    2,5,8-trioxanonane 717.45
    1-hexene 290.44
    2-isopropoxyethanol 490.2
    2,2,2-trifluoroethanol 206.71
    methyl butyrate 796.14

    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
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.7%