3-Phenylpropyl propanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    122-74-7

    Molecular formula
    C12H16O2

    SMILES
    CCC(=O)OCCCC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.97%
    Floral 78.82%
    Sweet 75.1%
    Balsamic 63.65%
    Rose 55.41%
    Spicy 51.58%
    Honey 51.06%
    Green 40.23%
    Tropical 38.43%
    Jasmin 36.36%

     

    Flavor
    Floral 71.79%
    Rose 63.84%
    Balsam 62.13%
    Fruity 57.57%
    Honey 54.53%
    Hyacinth 44.65%
    Sweet 40.84%
    Jasmin 38.57%
    Green 37.55%
    Chocolate 35.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.26 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 279.00 to 280.00 °C. @ 760.00 mm Hg

    Flash point

    • 123.6 ˚C est.

    Solubility expt.

    • very slightly
    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • 3-Phenylpropyl propanoate
    • 3-Phenylpropyl propionate
    • 122-74-7
    • Hydrocinnamyl propionate
    • Phenylpropyl propionate
    • Benzenepropanol, 1-propanoate
    • BENZENEPROPANOL, PROPANOATE
    • 3-Phenyl-1-propanol propionate
    • 1-Propanol, 3-phenyl-, propionate
    • FEMA No. 2897
    • 3-Phenyl propyl propionate
    • NSC 6032
    • EINECS 204-571-9
    • BRN 3272005
    • AI3-18535
    • NSC-6032
    • Phenylpropyl n-propionate
    • C4756E9F55
    • DTXSID80861757
    • 3-PHENYLPROPYL PROPANOATE [FHFI]
    • Benzenepropanol,1-propanoate
    • UNII-C4756E9F55
    • 1-Propanol, propionate
    • beta -phenylpropyl propionate
    • SCHEMBL873128
    • .beta.-Phenylpropyl propionate
    • FEMA 2897
    • DTXCID40810640
    • NSC6032
    • CHEBI:179906
    • 3-Phenylpropyl propionate, >=97%
    • AKOS024319243
    • NS00012631
    • Q27275172
    • 204-571-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 662.12
    methanol 981.48
    isopropanol 346.1
    water 0.31
    ethyl acetate 1055.41
    n-propanol 412.53
    acetone 1150.21
    n-butanol 379.55
    acetonitrile 1307.01
    DMF 1064.15
    toluene 358.49
    isobutanol 271.84
    1,4-dioxane 1324.43
    methyl acetate 829.79
    THF 1061.22
    2-butanone 883.62
    n-pentanol 387.29
    sec-butanol 302.94
    n-hexane 60.8
    ethylene glycol 95.77
    NMP 708.35
    cyclohexane 53.77
    DMSO 1910.2
    n-butyl acetate 811.26
    n-octanol 143.01
    chloroform 2806.02
    n-propyl acetate 737.05
    acetic acid 725.66
    dichloromethane 3600.3
    cyclohexanone 946.0
    propylene glycol 124.4
    isopropyl acetate 531.45
    DMAc 1015.42
    2-ethoxyethanol 742.08
    isopentanol 374.72
    n-heptane 27.83
    ethyl formate 495.01
    1,2-dichloroethane 2088.43
    n-hexanol 307.71
    2-methoxyethanol 813.05
    isobutyl acetate 438.53
    tetrachloromethane 232.47
    n-pentyl acetate 346.22
    transcutol 3253.25
    n-heptanol 120.6
    ethylbenzene 250.43
    MIBK 432.42
    2-propoxyethanol 630.85
    tert-butanol 469.45
    MTBE 630.33
    2-butoxyethanol 312.82
    propionic acid 447.78
    o-xylene 215.49
    formic acid 232.33
    diethyl ether 896.84
    m-xylene 218.97
    p-xylene 277.78
    chlorobenzene 651.37
    dimethyl carbonate 305.52
    n-octane 15.25
    formamide 452.9
    cyclopentanone 971.9
    2-pentanone 704.44
    anisole 617.85
    cyclopentyl methyl ether 508.86
    gamma-butyrolactone 1074.09
    1-methoxy-2-propanol 532.03
    pyridine 1025.57
    3-pentanone 559.62
    furfural 1024.9
    n-dodecane 15.03
    diethylene glycol 428.75
    diisopropyl ether 181.1
    tert-amyl alcohol 411.62
    acetylacetone 874.01
    n-hexadecane 17.75
    acetophenone 540.92
    methyl propionate 613.66
    isopentyl acetate 618.99
    trichloroethylene 3199.04
    n-nonanol 131.69
    cyclohexanol 283.69
    benzyl alcohol 383.02
    2-ethylhexanol 208.97
    isooctanol 116.68
    dipropyl ether 331.02
    1,2-dichlorobenzene 645.59
    ethyl lactate 225.99
    propylene carbonate 597.84
    n-methylformamide 552.71
    2-pentanol 254.91
    n-pentane 32.1
    1-propoxy-2-propanol 427.0
    1-methoxy-2-propyl acetate 574.48
    2-(2-methoxypropoxy) propanol 421.67
    mesitylene 145.59
    ε-caprolactone 780.19
    p-cymene 119.34
    epichlorohydrin 1687.35
    1,1,1-trichloroethane 1178.03
    2-aminoethanol 222.9
    morpholine-4-carbaldehyde 953.18
    sulfolane 1160.69
    2,2,4-trimethylpentane 30.15
    2-methyltetrahydrofuran 758.07
    n-hexyl acetate 456.97
    isooctane 22.99
    2-(2-butoxyethoxy)ethanol 592.43
    sec-butyl acetate 467.36
    tert-butyl acetate 567.52
    decalin 57.97
    glycerin 187.63
    diglyme 1175.1
    acrylic acid 382.71
    isopropyl myristate 172.59
    n-butyric acid 619.9
    acetyl acetate 612.79
    di(2-ethylhexyl) phthalate 158.47
    ethyl propionate 564.26
    nitromethane 1603.92
    1,2-diethoxyethane 1003.95
    benzonitrile 562.83
    trioctyl phosphate 103.88
    1-bromopropane 908.97
    gamma-valerolactone 1160.32
    n-decanol 98.85
    triethyl phosphate 215.95
    4-methyl-2-pentanol 164.03
    propionitrile 699.1
    vinylene carbonate 612.27
    1,1,2-trichlorotrifluoroethane 832.36
    DMS 471.63
    cumene 161.17
    2-octanol 92.95
    2-hexanone 642.91
    octyl acetate 210.86
    limonene 165.81
    1,2-dimethoxyethane 1285.38
    ethyl orthosilicate 209.61
    tributyl phosphate 172.28
    diacetone alcohol 468.66
    N,N-dimethylaniline 355.36
    acrylonitrile 906.98
    aniline 418.22
    1,3-propanediol 345.0
    bromobenzene 796.36
    dibromomethane 2108.09
    1,1,2,2-tetrachloroethane 2306.08
    2-methyl-cyclohexyl acetate 329.43
    tetrabutyl urea 210.78
    diisobutyl methanol 118.67
    2-phenylethanol 312.56
    styrene 383.08
    dioctyl adipate 270.31
    dimethyl sulfate 467.23
    ethyl butyrate 511.7
    methyl lactate 222.52
    butyl lactate 254.49
    diethyl carbonate 368.08
    propanediol butyl ether 308.82
    triethyl orthoformate 307.94
    p-tert-butyltoluene 110.74
    methyl 4-tert-butylbenzoate 331.89
    morpholine 1229.19
    tert-butylamine 290.1
    n-dodecanol 77.49
    dimethoxymethane 780.61
    ethylene carbonate 516.82
    cyrene 326.42
    2-ethoxyethyl acetate 570.09
    2-ethylhexyl acetate 474.38
    1,2,4-trichlorobenzene 687.64
    4-methylpyridine 958.37
    dibutyl ether 344.45
    2,6-dimethyl-4-heptanol 118.67
    DEF 804.83
    dimethyl isosorbide 653.09
    tetrachloroethylene 1346.4
    eugenol 357.4
    triacetin 485.39
    span 80 307.09
    1,4-butanediol 188.11
    1,1-dichloroethane 1564.01
    2-methyl-1-pentanol 374.22
    methyl formate 412.26
    2-methyl-1-butanol 329.3
    n-decane 23.74
    butyronitrile 662.46
    3,7-dimethyl-1-octanol 171.53
    1-chlorooctane 138.58
    1-chlorotetradecane 54.58
    n-nonane 21.76
    undecane 18.21
    tert-butylcyclohexane 55.0
    cyclooctane 19.38
    cyclopentanol 256.9
    tetrahydropyran 878.74
    tert-amyl methyl ether 425.26
    2,5,8-trioxanonane 777.87
    1-hexene 299.03
    2-isopropoxyethanol 504.66
    2,2,2-trifluoroethanol 208.27
    methyl butyrate 807.08

    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