Hexyl 3-phenylprop-2-enoate

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  • Identifiers

    CAS number
    3488-00-4

    Molecular formula
    C15H20O2

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

  • Odor profile

    Fragrance
    Balsamic 79.35%
    Green 68.45%
    Herbal 59.32%
    Sweet 56.76%
    Floral 55.85%
    Fruity 55.61%
    Spicy 40.39%
    Cinnamon 37.04%
    Fresh 32.64%
    Waxy 32.64%

     

    Flavor
    Green 54.13%
    Balsam 47.08%
    Waxy 40.7%
    Floral 40.09%
    Fruity 33.11%
    Fresh 30.76%
    Leaf 30.01%
    Amber 29.42%
    Oily 29.2%
    Orchid 28.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    6.84 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 155.55 ˚C est.

  • Synonyms

    • 3488-00-4
    • hexyl 3-phenylprop-2-enoate
    • DTXSID301317081
    • Q9197458

  • Applications

    Hexyl 3-phenylprop-2-enoate (CAS 3488-00-4) is primarily used as a fragrance ingredient and fixative in perfumery, helping to stabilize and extend aroma in perfumes, cosmetics, and personal care formulations. It is also used as a flavor/aroma additive in certain food and beverage applications. In household products such as cleaners and air fresheners, it contributes a pleasant scent. Additionally, it may serve as an intermediate in the synthesis of related cinnamate aroma compounds used in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2016.26
    methanol 2507.4
    isopropanol 781.22
    water 0.09
    ethyl acetate 3268.92
    n-propanol 1257.66
    acetone 4043.24
    n-butanol 975.8
    acetonitrile 2340.35
    DMF 5252.96
    toluene 1191.64
    isobutanol 727.09
    1,4-dioxane 1840.96
    methyl acetate 2121.19
    THF 2593.75
    2-butanone 2751.68
    n-pentanol 583.69
    sec-butanol 731.63
    n-hexane 78.32
    ethylene glycol 161.55
    NMP 2781.49
    cyclohexane 125.8
    DMSO 5057.67
    n-butyl acetate 1294.14
    n-octanol 144.08
    chloroform 4738.68
    n-propyl acetate 1324.97
    acetic acid 1112.17
    dichloromethane 7127.86
    cyclohexanone 2780.7
    propylene glycol 271.12
    isopropyl acetate 1427.13
    DMAc 3297.53
    2-ethoxyethanol 980.46
    isopentanol 740.12
    n-heptane 29.85
    ethyl formate 921.23
    1,2-dichloroethane 5996.47
    n-hexanol 498.78
    2-methoxyethanol 1917.02
    isobutyl acetate 670.99
    tetrachloromethane 318.26
    n-pentyl acetate 555.52
    transcutol 4401.31
    n-heptanol 164.03
    ethylbenzene 408.44
    MIBK 1027.57
    2-propoxyethanol 1025.77
    tert-butanol 793.54
    MTBE 1355.62
    2-butoxyethanol 461.13
    propionic acid 900.65
    o-xylene 449.31
    formic acid 291.83
    diethyl ether 2376.49
    m-xylene 528.98
    p-xylene 429.22
    chlorobenzene 1564.7
    dimethyl carbonate 859.15
    n-octane 12.82
    formamide 866.86
    cyclopentanone 3203.08
    2-pentanone 2402.02
    anisole 996.44
    cyclopentyl methyl ether 1580.67
    gamma-butyrolactone 3026.66
    1-methoxy-2-propanol 1314.6
    pyridine 3093.83
    3-pentanone 1843.07
    furfural 1931.51
    n-dodecane 11.49
    diethylene glycol 634.31
    diisopropyl ether 405.41
    tert-amyl alcohol 695.96
    acetylacetone 2425.22
    n-hexadecane 13.97
    acetophenone 893.38
    methyl propionate 2465.03
    isopentyl acetate 1036.64
    trichloroethylene 8114.0
    n-nonanol 135.69
    cyclohexanol 734.85
    benzyl alcohol 607.52
    2-ethylhexanol 308.29
    isooctanol 146.69
    dipropyl ether 528.56
    1,2-dichlorobenzene 1264.97
    ethyl lactate 357.64
    propylene carbonate 1362.6
    n-methylformamide 1903.16
    2-pentanol 595.93
    n-pentane 57.62
    1-propoxy-2-propanol 697.76
    1-methoxy-2-propyl acetate 1118.01
    2-(2-methoxypropoxy) propanol 516.56
    mesitylene 256.49
    ε-caprolactone 1902.79
    p-cymene 156.29
    epichlorohydrin 4514.9
    1,1,1-trichloroethane 2667.41
    2-aminoethanol 477.62
    morpholine-4-carbaldehyde 1884.94
    sulfolane 3518.8
    2,2,4-trimethylpentane 38.75
    2-methyltetrahydrofuran 2046.38
    n-hexyl acetate 671.84
    isooctane 31.33
    2-(2-butoxyethoxy)ethanol 772.89
    sec-butyl acetate 785.36
    tert-butyl acetate 1181.99
    decalin 76.87
    glycerin 326.8
    diglyme 1654.34
    acrylic acid 719.25
    isopropyl myristate 211.35
    n-butyric acid 1470.2
    acetyl acetate 1285.11
    di(2-ethylhexyl) phthalate 196.6
    ethyl propionate 1169.56
    nitromethane 3291.91
    1,2-diethoxyethane 1573.64
    benzonitrile 940.04
    trioctyl phosphate 126.12
    1-bromopropane 2551.05
    gamma-valerolactone 2855.51
    n-decanol 98.95
    triethyl phosphate 284.22
    4-methyl-2-pentanol 277.64
    propionitrile 1414.26
    vinylene carbonate 1148.7
    1,1,2-trichlorotrifluoroethane 1829.71
    DMS 842.18
    cumene 206.44
    2-octanol 109.57
    2-hexanone 1184.39
    octyl acetate 258.28
    limonene 259.35
    1,2-dimethoxyethane 1658.29
    ethyl orthosilicate 266.25
    tributyl phosphate 203.79
    diacetone alcohol 976.15
    N,N-dimethylaniline 524.28
    acrylonitrile 1877.84
    aniline 1103.25
    1,3-propanediol 678.58
    bromobenzene 1915.76
    dibromomethane 4117.42
    1,1,2,2-tetrachloroethane 5892.69
    2-methyl-cyclohexyl acetate 462.19
    tetrabutyl urea 282.0
    diisobutyl methanol 169.15
    2-phenylethanol 517.36
    styrene 701.36
    dioctyl adipate 341.54
    dimethyl sulfate 1250.37
    ethyl butyrate 814.21
    methyl lactate 589.61
    butyl lactate 378.98
    diethyl carbonate 496.76
    propanediol butyl ether 392.43
    triethyl orthoformate 413.11
    p-tert-butyltoluene 146.01
    methyl 4-tert-butylbenzoate 439.98
    morpholine 2881.69
    tert-butylamine 476.93
    n-dodecanol 73.88
    dimethoxymethane 2595.09
    ethylene carbonate 986.79
    cyrene 436.8
    2-ethoxyethyl acetate 950.27
    2-ethylhexyl acetate 777.71
    1,2,4-trichlorobenzene 1489.8
    4-methylpyridine 2860.19
    dibutyl ether 437.04
    2,6-dimethyl-4-heptanol 169.15
    DEF 2859.36
    dimethyl isosorbide 931.85
    tetrachloroethylene 3010.63
    eugenol 453.05
    triacetin 657.11
    span 80 374.35
    1,4-butanediol 226.92
    1,1-dichloroethane 4137.39
    2-methyl-1-pentanol 543.31
    methyl formate 1054.43
    2-methyl-1-butanol 771.23
    n-decane 18.88
    butyronitrile 1389.57
    3,7-dimethyl-1-octanol 210.15
    1-chlorooctane 156.21
    1-chlorotetradecane 53.86
    n-nonane 17.65
    undecane 14.04
    tert-butylcyclohexane 59.51
    cyclooctane 31.07
    cyclopentanol 669.88
    tetrahydropyran 2430.6
    tert-amyl methyl ether 899.57
    2,5,8-trioxanonane 987.02
    1-hexene 497.65
    2-isopropoxyethanol 658.3
    2,2,2-trifluoroethanol 292.97
    methyl butyrate 1609.35

    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