1-Phenylethyl propionate

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  • Identifiers

    CAS number
    120-45-6

    Molecular formula
    C11H14O2

    SMILES
    CCC(=O)OC(C)C1=CC=CC=C1

  • Odor profile

    Fruity 94.2%
    Floral 86.81%
    Sweet 70.73%
    Green 69.0%
    Tropical 51.66%
    Jasmin 50.29%
    Fresh 47.48%
    Rose 46.7%
    Plum 41.21%
    Apple 38.8%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.26 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 91.00 to 92.00 °C. @ 5.00 mm Hg

    Flash point est.
    103.98 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 1-Phenylethyl propionate
    • 120-45-6
    • 1-phenylethyl propanoate
    • Styrallyl propionate
    • Styralyl propionate
    • Methylphenylcarbinyl propionate
    • alpha-Methylbenzyl propionate
    • Phenylmethylcarbinyl propionate
    • Benzenemethanol, alpha-methyl-, 1-propanoate
    • alpha-Methylbenzyl propanoate
    • 1-Phenyl-1-ethyl propionate
    • FEMA No. 2689
    • alpha-Methylbenzyl alcohol, propionate
    • Styrolyl propionate
    • alpha-Methylbenzenemethanol propanoate
    • .alpha.-Methylbenzyl propionate
    • NSC 406571
    • Propionic acid, alpha-methylbenzyl ester
    • Benzenemethanol, alpha-methyl-, propanoate
    • EINECS 204-397-3
    • Benzenemethanol, .alpha.-methyl-, propanoate
    • J5A62A7WWF
    • BENZYL ALCOHOL, alpha-METHYL-, PROPIONATE
    • BRN 1948418
    • DTXSID9047091
    • AI3-04100
    • NSC-406571
    • Benzyl alcohol, .alpha.-methyl-, propionate
    • DTXCID7027091
    • 3-06-00-01680 (Beilstein Handbook Reference)
    • (+/-)-1-PHENYLETHYL PROPIONATE
    • 1-PHENYLETHANOL PROPIONIC ACID ESTER
    • .ALPHA.-METHYLBENZYL PROPIONATE [FHFI]
    • Benzenemethanol, .alpha.-methyl-, 1-propanoate
    • UNII-J5A62A7WWF
    • styrolylpropionat
    • MFCD00009305
    • 1-phenylethylpropionate
    • SCHEMBL538486
    • .alpha.-Methylbenzyl propanoate
    • CHEMBL3185936
    • FEMA 2689
    • CHEBI:173831
    • propionic acid 1-phenyl-ethyl ester
    • Tox21_302346
    • NSC406571
    • AKOS015912978
    • CS-W017314
    • HY-W016598
    • .alpha.-Methylbenzyl alcohol, propionate
    • NCGC00256024-01
    • alpha-Methylbenzyl propionate, >98%, FG
    • AS-64763
    • CAS-120-45-6
    • Benzenemethanol, |A-methyl-, 1-propanoate
    • Propionic acid, .alpha.-methylbenzyl ester
    • NS00013193
    • Q27891219
    • 204-397-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 845.79
    methanol 1241.7
    isopropanol 586.35
    water 1.93
    ethyl acetate 894.28
    n-propanol 621.53
    acetone 1209.15
    n-butanol 618.11
    acetonitrile 1299.86
    DMF 1778.94
    toluene 421.07
    isobutanol 503.59
    1,4-dioxane 1497.49
    methyl acetate 839.4
    THF 1122.38
    2-butanone 918.97
    n-pentanol 506.93
    sec-butanol 514.74
    n-hexane 120.67
    ethylene glycol 143.59
    NMP 1300.06
    cyclohexane 127.9
    DMSO 1420.64
    n-butyl acetate 765.38
    n-octanol 278.47
    chloroform 3542.23
    n-propyl acetate 645.4
    acetic acid 857.27
    dichloromethane 3521.42
    cyclohexanone 1302.88
    propylene glycol 167.13
    isopropyl acetate 490.36
    DMAc 1409.0
    2-ethoxyethanol 654.45
    isopentanol 572.48
    n-heptane 48.11
    ethyl formate 616.07
    1,2-dichloroethane 1979.74
    n-hexanol 450.82
    2-methoxyethanol 910.12
    isobutyl acetate 400.09
    tetrachloromethane 314.46
    n-pentyl acetate 400.44
    transcutol 1947.0
    n-heptanol 209.58
    ethylbenzene 331.35
    MIBK 425.35
    2-propoxyethanol 665.47
    tert-butanol 752.35
    MTBE 761.65
    2-butoxyethanol 380.29
    propionic acid 603.87
    o-xylene 287.81
    formic acid 261.6
    diethyl ether 872.22
    m-xylene 270.41
    p-xylene 412.34
    chlorobenzene 812.34
    dimethyl carbonate 357.07
    n-octane 31.18
    formamide 477.15
    cyclopentanone 1239.76
    2-pentanone 700.59
    anisole 711.61
    cyclopentyl methyl ether 571.73
    gamma-butyrolactone 1412.55
    1-methoxy-2-propanol 568.82
    pyridine 1212.38
    3-pentanone 611.75
    furfural 1209.86
    n-dodecane 30.73
    diethylene glycol 452.06
    diisopropyl ether 204.72
    tert-amyl alcohol 635.0
    acetylacetone 800.81
    n-hexadecane 35.34
    acetophenone 630.08
    methyl propionate 628.81
    isopentyl acetate 613.0
    trichloroethylene 3242.79
    n-nonanol 235.95
    cyclohexanol 509.04
    benzyl alcohol 486.12
    2-ethylhexanol 301.79
    isooctanol 188.03
    dipropyl ether 339.59
    1,2-dichlorobenzene 771.55
    ethyl lactate 244.78
    propylene carbonate 827.16
    n-methylformamide 761.47
    2-pentanol 383.13
    n-pentane 69.56
    1-propoxy-2-propanol 439.81
    1-methoxy-2-propyl acetate 506.7
    2-(2-methoxypropoxy) propanol 419.16
    mesitylene 180.41
    ε-caprolactone 995.44
    p-cymene 155.71
    epichlorohydrin 1700.74
    1,1,1-trichloroethane 1275.22
    2-aminoethanol 305.93
    morpholine-4-carbaldehyde 1220.38
    sulfolane 1460.35
    2,2,4-trimethylpentane 50.93
    2-methyltetrahydrofuran 919.83
    n-hexyl acetate 607.8
    isooctane 34.57
    2-(2-butoxyethoxy)ethanol 574.26
    sec-butyl acetate 413.2
    tert-butyl acetate 506.79
    decalin 91.13
    glycerin 232.42
    diglyme 1056.64
    acrylic acid 530.36
    isopropyl myristate 213.09
    n-butyric acid 795.95
    acetyl acetate 597.42
    di(2-ethylhexyl) phthalate 198.02
    ethyl propionate 525.36
    nitromethane 1517.05
    1,2-diethoxyethane 759.25
    benzonitrile 764.72
    trioctyl phosphate 140.61
    1-bromopropane 956.37
    gamma-valerolactone 1377.96
    n-decanol 171.79
    triethyl phosphate 221.31
    4-methyl-2-pentanol 233.4
    propionitrile 910.04
    vinylene carbonate 888.58
    1,1,2-trichlorotrifluoroethane 876.89
    DMS 515.78
    cumene 219.26
    2-octanol 173.24
    2-hexanone 607.87
    octyl acetate 279.24
    limonene 218.76
    1,2-dimethoxyethane 1247.38
    ethyl orthosilicate 211.63
    tributyl phosphate 205.69
    diacetone alcohol 478.27
    N,N-dimethylaniline 420.66
    acrylonitrile 1117.33
    aniline 548.65
    1,3-propanediol 467.17
    bromobenzene 964.21
    dibromomethane 2143.72
    1,1,2,2-tetrachloroethane 2490.21
    2-methyl-cyclohexyl acetate 348.02
    tetrabutyl urea 254.42
    diisobutyl methanol 158.44
    2-phenylethanol 397.89
    styrene 481.66
    dioctyl adipate 303.62
    dimethyl sulfate 538.02
    ethyl butyrate 481.33
    methyl lactate 260.58
    butyl lactate 293.68
    diethyl carbonate 361.94
    propanediol butyl ether 366.45
    triethyl orthoformate 298.82
    p-tert-butyltoluene 144.68
    methyl 4-tert-butylbenzoate 395.53
    morpholine 1364.91
    tert-butylamine 523.81
    n-dodecanol 128.55
    dimethoxymethane 811.27
    ethylene carbonate 742.69
    cyrene 373.93
    2-ethoxyethyl acetate 523.73
    2-ethylhexyl acetate 469.11
    1,2,4-trichlorobenzene 805.81
    4-methylpyridine 1280.25
    dibutyl ether 405.42
    2,6-dimethyl-4-heptanol 158.44
    DEF 1005.53
    dimethyl isosorbide 616.61
    tetrachloroethylene 1500.64
    eugenol 421.26
    triacetin 489.65
    span 80 331.9
    1,4-butanediol 223.06
    1,1-dichloroethane 1677.42
    2-methyl-1-pentanol 514.88
    methyl formate 610.58
    2-methyl-1-butanol 548.58
    n-decane 49.48
    butyronitrile 858.4
    3,7-dimethyl-1-octanol 257.06
    1-chlorooctane 230.46
    1-chlorotetradecane 90.58
    n-nonane 47.83
    undecane 38.1
    tert-butylcyclohexane 83.15
    cyclooctane 37.44
    cyclopentanol 477.08
    tetrahydropyran 1079.36
    tert-amyl methyl ether 527.31
    2,5,8-trioxanonane 690.64
    1-hexene 455.84
    2-isopropoxyethanol 463.21
    2,2,2-trifluoroethanol 289.11
    methyl butyrate 778.06

    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