2-Propenoic acid, 3-phenyl-, (3Z)-3-hexenyl ester

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  • Identifiers

    CAS number
    68133-75-5

    Molecular formula
    C15H18O2

    SMILES
    CC/C=C\CCOC(=O)/C=C/C1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 83.62%
    Balsamic 76.67%
    Sweet 59.39%
    Herbal 59.37%
    Floral 53.88%
    Cinnamon 47.33%
    Fresh 44.78%
    Spicy 44.0%
    Leafy 39.55%
    Tropical 36.8%

     

    Flavor
    Green 69.19%
    Balsam 43.26%
    Floral 42.44%
    Sweet 41.72%
    Fresh 40.4%
    Waxy 39.81%
    Leaf 38.68%
    Fatty 35.36%
    Oily 32.88%
    Orchid 28.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.93 (neutral)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 165.02 ˚C est.

  • Synonyms

    • 68133-75-5
    • Cinnamic Acid cis-3-Hexen-1-yl Ester
    • (Z)-hex-3-en-1-yl cinnamate
    • [(Z)-hex-3-enyl] (E)-3-phenylprop-2-enoate
    • 94135-75-8
    • 2-Propenoic acid, 3-phenyl-, (3Z)-3-hexenyl ester
    • 2-Propenoic acid, 3-phenyl-, (3Z)-3-hexen-1-yl ester
    • Hex-3-enyl (Z)-cinnamate
    • Cinnamic acid cis-3-hexenyl ester
    • EINECS 302-946-2
    • cis-3-Hexenylcinnamate
    • CEN78F7TEL
    • Hex-3-enyl(Z)-cinnamate
    • (Z)-hex-3-en-1-ylcinnamate
    • SCHEMBL16104996
    • DTXSID60887177
    • Cinnamic acid, (Z)-3-hexenyl ester
    • AKOS015839132
    • (3Z)-3-Hexenyl 3-phenyl-2-propenoate
    • CIS-3-HEXENYL 3-PHENYLPROPENOATE
    • (3Z)-3-Hexen-1-yl 3-phenyl-2-propenoate
    • 2-Propenoic acid, 3-phenyl-, 3(Z)-hexenyl ester
    • 2-Propenoic acid,3-phenyl-,(3Z)-3-hexen-1-yl ester
    • Q63392821
    • 2-Propenoic acid, 3-phenyl-, (3Z)-3-hexen-1-yl ester, (2E)-

  • Applications

    This cinnamate ester of 2-Propenoic acid, 3-phenyl-, (3Z)-3-hexenyl ester is primarily used as a fragrance ingredient and a potential fixative in perfumery, cosmetics, and personal care products; it may serve as an aroma additive in household products and air fresheners; it functions as an intermediate in fragrance synthesis; it has potential as a reactive monomer or co-monomer in UV-curable coatings and inks due to its alpha,beta-unsaturated ester functionality; and it may be considered for incorporation into polymer or plastic formulations where a fragrance component is desirable.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 520.86
    methanol 652.09
    isopropanol 188.41
    water 0.07
    ethyl acetate 1047.37
    n-propanol 332.05
    acetone 1228.58
    n-butanol 272.78
    acetonitrile 691.88
    DMF 2078.49
    toluene 541.85
    isobutanol 190.25
    1,4-dioxane 747.84
    methyl acetate 751.6
    THF 1158.77
    2-butanone 935.85
    n-pentanol 198.05
    sec-butanol 205.79
    n-hexane 28.46
    ethylene glycol 61.06
    NMP 1336.78
    cyclohexane 41.39
    DMSO 2240.66
    n-butyl acetate 483.61
    n-octanol 52.58
    chloroform 2318.29
    n-propyl acetate 476.97
    acetic acid 405.24
    dichloromethane 3407.56
    cyclohexanone 1028.81
    propylene glycol 97.93
    isopropyl acetate 473.4
    DMAc 1644.33
    2-ethoxyethanol 393.52
    isopentanol 227.36
    n-heptane 13.17
    ethyl formate 299.61
    1,2-dichloroethane 2800.94
    n-hexanol 185.58
    2-methoxyethanol 653.09
    isobutyl acetate 265.3
    tetrachloromethane 136.53
    n-pentyl acetate 195.74
    transcutol 2204.2
    n-heptanol 63.07
    ethylbenzene 189.48
    MIBK 385.18
    2-propoxyethanol 411.05
    tert-butanol 240.17
    MTBE 424.52
    2-butoxyethanol 185.99
    propionic acid 300.79
    o-xylene 211.03
    formic acid 121.66
    diethyl ether 832.04
    m-xylene 232.3
    p-xylene 192.71
    chlorobenzene 706.14
    dimethyl carbonate 395.9
    n-octane 5.58
    formamide 341.61
    cyclopentanone 1372.18
    2-pentanone 777.83
    anisole 473.37
    cyclopentyl methyl ether 634.07
    gamma-butyrolactone 1322.97
    1-methoxy-2-propanol 464.16
    pyridine 1254.9
    3-pentanone 708.13
    furfural 882.7
    n-dodecane 5.49
    diethylene glycol 276.4
    diisopropyl ether 141.41
    tert-amyl alcohol 230.05
    acetylacetone 957.28
    n-hexadecane 6.62
    acetophenone 436.44
    methyl propionate 947.09
    isopentyl acetate 399.87
    trichloroethylene 3804.6
    n-nonanol 53.74
    cyclohexanol 237.34
    benzyl alcohol 273.08
    2-ethylhexanol 118.3
    isooctanol 58.08
    dipropyl ether 215.51
    1,2-dichlorobenzene 593.37
    ethyl lactate 155.62
    propylene carbonate 568.6
    n-methylformamide 622.91
    2-pentanol 173.22
    n-pentane 19.4
    1-propoxy-2-propanol 268.27
    1-methoxy-2-propyl acetate 457.06
    2-(2-methoxypropoxy) propanol 267.43
    mesitylene 116.9
    ε-caprolactone 723.63
    p-cymene 78.55
    epichlorohydrin 2043.88
    1,1,1-trichloroethane 1101.58
    2-aminoethanol 161.9
    morpholine-4-carbaldehyde 896.17
    sulfolane 1646.91
    2,2,4-trimethylpentane 18.16
    2-methyltetrahydrofuran 760.4
    n-hexyl acetate 257.9
    isooctane 13.34
    2-(2-butoxyethoxy)ethanol 371.76
    sec-butyl acetate 308.15
    tert-butyl acetate 456.38
    decalin 35.32
    glycerin 142.67
    diglyme 792.68
    acrylic acid 275.52
    isopropyl myristate 95.02
    n-butyric acid 437.31
    acetyl acetate 486.19
    di(2-ethylhexyl) phthalate 99.88
    ethyl propionate 443.64
    nitromethane 1272.99
    1,2-diethoxyethane 665.61
    benzonitrile 384.3
    trioctyl phosphate 60.78
    1-bromopropane 1056.13
    gamma-valerolactone 1177.01
    n-decanol 41.74
    triethyl phosphate 150.08
    4-methyl-2-pentanol 99.48
    propionitrile 465.48
    vinylene carbonate 487.4
    1,1,2-trichlorotrifluoroethane 830.35
    DMS 383.07
    cumene 100.5
    2-octanol 39.76
    2-hexanone 431.08
    octyl acetate 113.39
    limonene 119.95
    1,2-dimethoxyethane 694.06
    ethyl orthosilicate 138.4
    tributyl phosphate 98.92
    diacetone alcohol 390.09
    N,N-dimethylaniline 265.01
    acrylonitrile 688.52
    aniline 481.37
    1,3-propanediol 221.16
    bromobenzene 879.97
    dibromomethane 1925.19
    1,1,2,2-tetrachloroethane 2730.4
    2-methyl-cyclohexyl acetate 223.5
    tetrabutyl urea 139.16
    diisobutyl methanol 72.82
    2-phenylethanol 230.17
    styrene 315.81
    dioctyl adipate 169.28
    dimethyl sulfate 643.03
    ethyl butyrate 332.72
    methyl lactate 239.76
    butyl lactate 153.02
    diethyl carbonate 228.54
    propanediol butyl ether 166.02
    triethyl orthoformate 195.47
    p-tert-butyltoluene 74.89
    methyl 4-tert-butylbenzoate 222.25
    morpholine 1004.52
    tert-butylamine 145.24
    n-dodecanol 33.07
    dimethoxymethane 1064.14
    ethylene carbonate 400.36
    cyrene 234.4
    2-ethoxyethyl acetate 392.23
    2-ethylhexyl acetate 315.96
    1,2,4-trichlorobenzene 724.76
    4-methylpyridine 1065.2
    dibutyl ether 164.87
    2,6-dimethyl-4-heptanol 72.82
    DEF 1016.06
    dimethyl isosorbide 497.99
    tetrachloroethylene 1361.67
    eugenol 223.1
    triacetin 306.03
    span 80 184.48
    1,4-butanediol 85.48
    1,1-dichloroethane 1692.94
    2-methyl-1-pentanol 205.64
    methyl formate 380.89
    2-methyl-1-butanol 236.23
    n-decane 8.4
    butyronitrile 415.09
    3,7-dimethyl-1-octanol 81.81
    1-chlorooctane 61.57
    1-chlorotetradecane 24.69
    n-nonane 7.63
    undecane 6.62
    tert-butylcyclohexane 28.41
    cyclooctane 12.24
    cyclopentanol 214.02
    tetrahydropyran 825.62
    tert-amyl methyl ether 327.94
    2,5,8-trioxanonane 517.55
    1-hexene 170.51
    2-isopropoxyethanol 273.11
    2,2,2-trifluoroethanol 119.64
    methyl butyrate 577.54

    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