3-Phenylprop-2-en-1-yl 2-methylpropanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    103-59-3

    Molecular formula
    C13H16O2

    SMILES
    CC(C)C(=O)OCC=CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 94.05%
    Sweet 85.91%
    Floral 77.63%
    Balsamic 75.93%
    Spicy 63.47%
    Tropical 62.35%
    Rose 48.8%
    Pineapple 47.9%
    Green 47.82%
    Apple 47.82%

     

    Flavor
    Floral 56.65%
    Fruity 49.42%
    Sweet 38.24%
    Balsam 36.47%
    Green 34.62%
    Rose 33.82%
    Honey 28.68%
    Chocolate 28.21%
    Tropical 27.1%
    Leaf 25.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.07 (neutral)

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 135.22 ˚C est.

  • Synonyms

    • 103-59-3
    • 3-phenylprop-2-enyl 2-methylpropanoate
    • Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester
    • 3-phenylprop-2-en-1-yl 2-methylpropanoate
    • DTXSID6047608
    • CHEMBL3183375
    • 3-phenylallyl 2-methylpropanoate
    • AKOS028108457
    • DB-040467
    • D95780

  • Applications

    3-Phenylprop-2-en-1-yl 2-methylpropanoate (CAS 103-59-3) is primarily used in fragrance and cosmetic applications as a cinnamyl-type ester that provides a characteristic aroma and can act as a fixative, helping to extend fragrance longevity in formulations. It may be incorporated into perfumery formulations for fragrance notes and into cosmetics and personal-care products for fragrance delivery. It also finds use in household products such as air fresheners and cleaning agents to impart aroma. Additionally, as a cinnamyl ester derivative, it serves as an intermediate or precursor in the synthesis of other fragrance ingredients and specialty esters used in aroma chemistry in industrial settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 566.07
    methanol 660.36
    isopropanol 369.52
    water 0.52
    ethyl acetate 1295.37
    n-propanol 385.87
    acetone 1079.79
    n-butanol 391.64
    acetonitrile 1166.11
    DMF 984.44
    toluene 474.44
    isobutanol 312.02
    1,4-dioxane 1017.75
    methyl acetate 976.08
    THF 1145.0
    2-butanone 960.17
    n-pentanol 407.6
    sec-butanol 398.48
    n-hexane 111.48
    ethylene glycol 70.05
    NMP 704.19
    cyclohexane 80.02
    DMSO 967.03
    n-butyl acetate 924.86
    n-octanol 188.63
    chloroform 2728.12
    n-propyl acetate 841.09
    acetic acid 562.91
    dichloromethane 3257.15
    cyclohexanone 926.29
    propylene glycol 117.46
    isopropyl acetate 657.11
    DMAc 1073.09
    2-ethoxyethanol 727.31
    isopentanol 432.51
    n-heptane 45.91
    ethyl formate 544.6
    1,2-dichloroethane 1901.22
    n-hexanol 350.63
    2-methoxyethanol 739.4
    isobutyl acetate 486.27
    tetrachloromethane 277.94
    n-pentyl acetate 415.09
    transcutol 2848.25
    n-heptanol 170.85
    ethylbenzene 322.68
    MIBK 511.96
    2-propoxyethanol 629.49
    tert-butanol 515.75
    MTBE 760.36
    2-butoxyethanol 360.59
    propionic acid 410.16
    o-xylene 287.38
    formic acid 187.28
    diethyl ether 979.27
    m-xylene 302.58
    p-xylene 360.16
    chlorobenzene 690.71
    dimethyl carbonate 360.41
    n-octane 25.08
    formamide 412.85
    cyclopentanone 1036.66
    2-pentanone 848.76
    anisole 703.66
    cyclopentyl methyl ether 586.48
    gamma-butyrolactone 1144.0
    1-methoxy-2-propanol 553.99
    pyridine 891.55
    3-pentanone 707.1
    furfural 983.15
    n-dodecane 20.51
    diethylene glycol 380.97
    diisopropyl ether 265.67
    tert-amyl alcohol 531.13
    acetylacetone 934.15
    n-hexadecane 23.92
    acetophenone 617.92
    methyl propionate 770.16
    isopentyl acetate 710.35
    trichloroethylene 3256.69
    n-nonanol 168.15
    cyclohexanol 317.74
    benzyl alcohol 399.11
    2-ethylhexanol 264.46
    isooctanol 159.15
    dipropyl ether 384.69
    1,2-dichlorobenzene 695.64
    ethyl lactate 260.91
    propylene carbonate 692.18
    n-methylformamide 533.42
    2-pentanol 333.89
    n-pentane 62.88
    1-propoxy-2-propanol 455.43
    1-methoxy-2-propyl acetate 642.57
    2-(2-methoxypropoxy) propanol 428.77
    mesitylene 188.85
    ε-caprolactone 784.01
    p-cymene 152.64
    epichlorohydrin 1659.22
    1,1,1-trichloroethane 1347.59
    2-aminoethanol 183.14
    morpholine-4-carbaldehyde 853.67
    sulfolane 1038.64
    2,2,4-trimethylpentane 53.93
    2-methyltetrahydrofuran 848.24
    n-hexyl acetate 553.86
    isooctane 42.4
    2-(2-butoxyethoxy)ethanol 597.95
    sec-butyl acetate 566.68
    tert-butyl acetate 635.46
    decalin 77.39
    glycerin 150.97
    diglyme 1151.11
    acrylic acid 349.74
    isopropyl myristate 192.99
    n-butyric acid 627.64
    acetyl acetate 687.1
    di(2-ethylhexyl) phthalate 166.99
    ethyl propionate 684.2
    nitromethane 1274.55
    1,2-diethoxyethane 1026.87
    benzonitrile 569.1
    trioctyl phosphate 113.97
    1-bromopropane 910.03
    gamma-valerolactone 1110.26
    n-decanol 125.37
    triethyl phosphate 227.88
    4-methyl-2-pentanol 220.37
    propionitrile 692.07
    vinylene carbonate 634.37
    1,1,2-trichlorotrifluoroethane 798.15
    DMS 493.74
    cumene 209.4
    2-octanol 133.6
    2-hexanone 706.51
    octyl acetate 242.51
    limonene 205.46
    1,2-dimethoxyethane 1102.24
    ethyl orthosilicate 230.42
    tributyl phosphate 182.44
    diacetone alcohol 534.84
    N,N-dimethylaniline 404.86
    acrylonitrile 826.22
    aniline 428.36
    1,3-propanediol 302.16
    bromobenzene 852.22
    dibromomethane 1948.76
    1,1,2,2-tetrachloroethane 2248.88
    2-methyl-cyclohexyl acetate 363.35
    tetrabutyl urea 212.25
    diisobutyl methanol 150.52
    2-phenylethanol 358.0
    styrene 432.34
    dioctyl adipate 273.57
    dimethyl sulfate 475.25
    ethyl butyrate 609.84
    methyl lactate 248.2
    butyl lactate 285.23
    diethyl carbonate 414.75
    propanediol butyl ether 331.65
    triethyl orthoformate 340.52
    p-tert-butyltoluene 141.06
    methyl 4-tert-butylbenzoate 352.06
    morpholine 963.05
    tert-butylamine 343.49
    n-dodecanol 96.74
    dimethoxymethane 857.7
    ethylene carbonate 534.51
    cyrene 344.56
    2-ethoxyethyl acetate 627.19
    2-ethylhexyl acetate 566.83
    1,2,4-trichlorobenzene 727.22
    4-methylpyridine 949.96
    dibutyl ether 383.65
    2,6-dimethyl-4-heptanol 150.52
    DEF 905.38
    dimethyl isosorbide 664.33
    tetrachloroethylene 1318.07
    eugenol 371.09
    triacetin 486.48
    span 80 299.57
    1,4-butanediol 176.81
    1,1-dichloroethane 1631.53
    2-methyl-1-pentanol 452.18
    methyl formate 444.47
    2-methyl-1-butanol 395.96
    n-decane 34.16
    butyronitrile 707.58
    3,7-dimethyl-1-octanol 218.04
    1-chlorooctane 178.95
    1-chlorotetradecane 67.07
    n-nonane 32.76
    undecane 25.65
    tert-butylcyclohexane 78.12
    cyclooctane 33.26
    cyclopentanol 277.31
    tetrahydropyran 843.85
    tert-amyl methyl ether 586.02
    2,5,8-trioxanonane 714.72
    1-hexene 379.62
    2-isopropoxyethanol 541.56
    2,2,2-trifluoroethanol 212.49
    methyl butyrate 883.34

    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