4-Allylphenyl acetate

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  • Identifiers

    CAS number
    61499-22-7

    Molecular formula
    C11H12O2

    SMILES
    CC(=O)OC1=CC=C(C=C1)CC=C

  • Odor profile

    Floral 65.29%
    Sweet 64.36%
    Spicy 54.95%
    Fruity 51.42%
    Woody 49.39%
    Balsamic 49.19%
    Phenolic 47.54%
    Herbal 39.31%
    Honey 36.35%
    Warm 33.08%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.11 (weak base)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point est.
    115.39 ˚C

  • Synonyms

    • 3-(4-ACETOXYPHENYL)-1-PROPENE
    • 4-Allylphenyl acetate
    • 61499-22-7
    • (4-prop-2-enylphenyl) acetate
    • Chavicol acetate
    • Phenol, 4-(2-propenyl)-, acetate
    • Acetic acid 4-allyl-phenyl ester
    • Chavicol, acetate
    • MFCD00080402
    • (4-allylphenyl) acetate
    • SCHEMBL797506
    • CHEMBL108937
    • DTXSID10335214
    • AXHHVVBUOKYKJO-UHFFFAOYSA-N
    • CHEBI:190292
    • AKOS006274641
    • DB-314508

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.99
    methanol 136.02
    isopropanol 84.32
    water 0.24
    ethyl acetate 95.52
    n-propanol 101.29
    acetone 292.46
    n-butanol 100.42
    acetonitrile 99.84
    DMF 725.35
    toluene 39.15
    isobutanol 75.37
    1,4-dioxane 214.35
    methyl acetate 149.79
    THF 370.61
    2-butanone 209.8
    n-pentanol 87.38
    sec-butanol 84.88
    n-hexane 11.96
    ethylene glycol 69.54
    NMP 495.68
    cyclohexane 3.96
    DMSO 952.21
    n-butyl acetate 95.8
    n-octanol 34.74
    chloroform 268.41
    n-propyl acetate 68.38
    acetic acid 121.03
    dichloromethane 251.6
    cyclohexanone 185.39
    propylene glycol 97.84
    isopropyl acetate 70.53
    DMAc 773.52
    2-ethoxyethanol 177.88
    isopentanol 99.23
    n-heptane 3.53
    ethyl formate 59.34
    1,2-dichloroethane 205.8
    n-hexanol 81.78
    2-methoxyethanol 302.38
    isobutyl acetate 56.42
    tetrachloromethane 20.96
    n-pentyl acetate 47.86
    transcutol 975.11
    n-heptanol 30.23
    ethylbenzene 35.77
    MIBK 97.01
    2-propoxyethanol 189.59
    tert-butanol 136.79
    MTBE 143.21
    2-butoxyethanol 83.77
    propionic acid 96.17
    o-xylene 36.56
    formic acid 61.74
    diethyl ether 117.09
    m-xylene 36.13
    p-xylene 42.68
    chlorobenzene 81.12
    dimethyl carbonate 87.29
    n-octane 1.65
    formamide 104.43
    cyclopentanone 295.36
    2-pentanone 139.84
    anisole 138.48
    cyclopentyl methyl ether 148.22
    gamma-butyrolactone 277.33
    1-methoxy-2-propanol 241.71
    pyridine 133.41
    3-pentanone 120.19
    furfural 253.56
    n-dodecane 1.96
    diethylene glycol 190.99
    diisopropyl ether 34.09
    tert-amyl alcohol 123.81
    acetylacetone 190.58
    n-hexadecane 2.31
    acetophenone 112.83
    methyl propionate 122.13
    isopentyl acetate 97.32
    trichloroethylene 385.23
    n-nonanol 31.97
    cyclohexanol 65.31
    benzyl alcohol 85.74
    2-ethylhexanol 50.05
    isooctanol 27.7
    dipropyl ether 50.54
    1,2-dichlorobenzene 91.36
    ethyl lactate 59.92
    propylene carbonate 126.82
    n-methylformamide 164.72
    2-pentanol 65.83
    n-pentane 5.04
    1-propoxy-2-propanol 123.71
    1-methoxy-2-propyl acetate 142.74
    2-(2-methoxypropoxy) propanol 170.03
    mesitylene 25.16
    ε-caprolactone 151.41
    p-cymene 24.2
    epichlorohydrin 394.41
    1,1,1-trichloroethane 136.88
    2-aminoethanol 107.04
    morpholine-4-carbaldehyde 382.04
    sulfolane 490.67
    2,2,4-trimethylpentane 7.01
    2-methyltetrahydrofuran 224.65
    n-hexyl acetate 97.46
    isooctane 5.15
    2-(2-butoxyethoxy)ethanol 212.46
    sec-butyl acetate 57.68
    tert-butyl acetate 114.55
    decalin 9.53
    glycerin 154.89
    diglyme 341.86
    acrylic acid 102.42
    isopropyl myristate 37.16
    n-butyric acid 99.94
    acetyl acetate 68.45
    di(2-ethylhexyl) phthalate 50.08
    ethyl propionate 69.79
    nitromethane 303.64
    1,2-diethoxyethane 157.34
    benzonitrile 83.84
    trioctyl phosphate 29.8
    1-bromopropane 98.51
    gamma-valerolactone 336.47
    n-decanol 24.53
    triethyl phosphate 51.05
    4-methyl-2-pentanol 46.4
    propionitrile 77.15
    vinylene carbonate 108.7
    1,1,2-trichlorotrifluoroethane 274.71
    DMS 125.88
    cumene 30.76
    2-octanol 21.34
    2-hexanone 108.53
    octyl acetate 47.93
    limonene 34.68
    1,2-dimethoxyethane 284.61
    ethyl orthosilicate 49.49
    tributyl phosphate 47.74
    diacetone alcohol 162.12
    N,N-dimethylaniline 93.32
    acrylonitrile 105.71
    aniline 85.04
    1,3-propanediol 124.06
    bromobenzene 80.83
    dibromomethane 149.98
    1,1,2,2-tetrachloroethane 320.29
    2-methyl-cyclohexyl acetate 78.71
    tetrabutyl urea 65.52
    diisobutyl methanol 31.07
    2-phenylethanol 85.83
    styrene 47.15
    dioctyl adipate 67.54
    dimethyl sulfate 223.29
    ethyl butyrate 63.42
    methyl lactate 106.45
    butyl lactate 61.94
    diethyl carbonate 52.3
    propanediol butyl ether 125.66
    triethyl orthoformate 55.85
    p-tert-butyltoluene 25.69
    methyl 4-tert-butylbenzoate 96.18
    morpholine 284.14
    tert-butylamine 72.9
    n-dodecanol 19.02
    dimethoxymethane 276.16
    ethylene carbonate 84.04
    cyrene 139.74
    2-ethoxyethyl acetate 105.38
    2-ethylhexyl acetate 74.15
    1,2,4-trichlorobenzene 127.1
    4-methylpyridine 156.58
    dibutyl ether 52.41
    2,6-dimethyl-4-heptanol 31.07
    DEF 184.97
    dimethyl isosorbide 234.61
    tetrachloroethylene 142.32
    eugenol 106.3
    triacetin 123.76
    span 80 107.28
    1,4-butanediol 59.81
    1,1-dichloroethane 152.5
    2-methyl-1-pentanol 90.85
    methyl formate 111.98
    2-methyl-1-butanol 95.39
    n-decane 3.04
    butyronitrile 77.97
    3,7-dimethyl-1-octanol 46.47
    1-chlorooctane 20.84
    1-chlorotetradecane 9.43
    n-nonane 2.83
    undecane 2.37
    tert-butylcyclohexane 11.37
    cyclooctane 1.94
    cyclopentanol 80.79
    tetrahydropyran 144.43
    tert-amyl methyl ether 118.3
    2,5,8-trioxanonane 265.63
    1-hexene 51.15
    2-isopropoxyethanol 125.44
    2,2,2-trifluoroethanol 50.4
    methyl butyrate 89.42

    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

Botanical

Name CAS Botanical Proportion
Galangal root (Malaysia) 8023-91-4 Alpinia galanga (L.) Willd., fam. Zingiberaceae 1.0%
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 3.6%