1'-Acetoxyeugenol acetate

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  • Identifiers

    CAS number
    53890-24-7

    Molecular formula
    C14H16O5

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 47.73%
    Fruity 38.68%
    Spicy 37.3%
    Vanilla 34.88%
    Odorless 34.6%
    Sweet 34.19%
    Balsamic 33.12%
    Woody 31.17%
    Powdery 28.79%
    Dry 26.86%

     

    Flavor
    Fruity 61.01%
    Sweet 47.6%
    Floral 33.59%
    Powdery 31.61%
    Woody 30.45%
    Creamy 27.9%
    Mild 26.02%
    Grape 25.77%
    Odorless 21.97%
    Berry 21.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.03 (neutral)

    Molecular weight
    264.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 154.12 ˚C est.

  • Synonyms

    • 1'-Acetoxyeugenol
    • 1'-Acetoxyeugenol acetate
    • 53890-24-7
    • DTXSID50866370
    • [4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] acetate
    • CHEBI:470
    • (4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl) acetate
    • RefChem:906521
    • DTXCID50814659
    • Benzenemethanol, 4-(acetyloxy)-alpha-ethenyl-3-methoxy-, acetate
    • 4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
    • 1'-S-1'-Acetoxyeugenol acetate
    • NKRBAUXTIWONOV-UHFFFAOYSA-N
    • 1a(2)-Acetoxyeugenol acetate
    • 1-[4-(ACETYLOXY)-3-METHOXYPHENYL]PROP-2-EN-1-YL ACETATE
    • 1-(4-Acetoxy-3-methoxyphenyl)allyl acetate
    • [4-(1-acetoxyallyl)-2-methoxy-phenyl] acetate
    • Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-3-methoxy-, acetate
    • Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-3-methoxy-, 1-acetate
    • 53890-24-7

  • Applications

    1'-Acetoxyeugenol acetate (CAS 53890-24-7) is typically used as a fragrance ingredient and odorant in perfumery and cosmetic formulations, acting as a scent component or a semi-volatile aroma chemical; it may be employed as an intermediate in fragrance synthesis and as a fragrance additive in household products such as cleaners or air fresheners; it can also be encountered in coatings and inks as an odorant modifier; in industrial manufacturing it may serve as a chemical intermediate for further esterification or related transformations; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.85
    methanol 61.01
    isopropanol 30.89
    water 0.45
    ethyl acetate 108.23
    n-propanol 27.74
    acetone 260.74
    n-butanol 26.2
    acetonitrile 103.09
    DMF 353.55
    toluene 22.78
    isobutanol 22.45
    1,4-dioxane 147.89
    methyl acetate 143.17
    THF 340.12
    2-butanone 121.7
    n-pentanol 29.09
    sec-butanol 30.14
    n-hexane 2.67
    ethylene glycol 19.25
    NMP 325.82
    cyclohexane 2.1
    DMSO 567.39
    n-butyl acetate 67.55
    n-octanol 20.21
    chloroform 144.0
    n-propyl acetate 75.34
    acetic acid 118.17
    dichloromethane 218.12
    cyclohexanone 141.83
    propylene glycol 17.52
    isopropyl acetate 59.92
    DMAc 528.32
    2-ethoxyethanol 114.02
    isopentanol 28.11
    n-heptane 1.41
    ethyl formate 79.44
    1,2-dichloroethane 144.13
    n-hexanol 23.68
    2-methoxyethanol 145.98
    isobutyl acetate 49.18
    tetrachloromethane 9.04
    n-pentyl acetate 34.45
    transcutol 176.41
    n-heptanol 13.78
    ethylbenzene 28.98
    MIBK 55.7
    2-propoxyethanol 93.97
    tert-butanol 64.53
    MTBE 57.42
    2-butoxyethanol 43.0
    propionic acid 52.3
    o-xylene 25.29
    formic acid 57.38
    diethyl ether 53.58
    m-xylene 20.03
    p-xylene 40.36
    chlorobenzene 56.5
    dimethyl carbonate 78.51
    n-octane 1.4
    formamide 103.38
    cyclopentanone 232.68
    2-pentanone 83.35
    anisole 91.45
    cyclopentyl methyl ether 81.19
    gamma-butyrolactone 275.91
    1-methoxy-2-propanol 95.37
    pyridine 107.28
    3-pentanone 72.54
    furfural 220.04
    n-dodecane 2.18
    diethylene glycol 89.39
    diisopropyl ether 14.59
    tert-amyl alcohol 50.96
    acetylacetone 160.58
    n-hexadecane 2.52
    acetophenone 102.8
    methyl propionate 101.52
    isopentyl acetate 60.57
    trichloroethylene 229.52
    n-nonanol 20.36
    cyclohexanol 34.24
    benzyl alcohol 66.38
    2-ethylhexanol 21.94
    isooctanol 13.78
    dipropyl ether 31.88
    1,2-dichlorobenzene 59.76
    ethyl lactate 48.24
    propylene carbonate 129.52
    n-methylformamide 106.91
    2-pentanol 18.57
    n-pentane 1.14
    1-propoxy-2-propanol 58.93
    1-methoxy-2-propyl acetate 82.8
    2-(2-methoxypropoxy) propanol 80.04
    mesitylene 13.34
    ε-caprolactone 129.23
    p-cymene 17.96
    epichlorohydrin 284.28
    1,1,1-trichloroethane 80.54
    2-aminoethanol 24.89
    morpholine-4-carbaldehyde 266.59
    sulfolane 330.23
    2,2,4-trimethylpentane 1.9
    2-methyltetrahydrofuran 148.95
    n-hexyl acetate 53.34
    isooctane 1.04
    2-(2-butoxyethoxy)ethanol 76.89
    sec-butyl acetate 51.99
    tert-butyl acetate 68.55
    decalin 4.64
    glycerin 42.62
    diglyme 154.95
    acrylic acid 55.16
    isopropyl myristate 27.33
    n-butyric acid 61.77
    acetyl acetate 84.86
    di(2-ethylhexyl) phthalate 34.63
    ethyl propionate 77.55
    nitromethane 278.55
    1,2-diethoxyethane 74.44
    benzonitrile 71.29
    trioctyl phosphate 21.98
    1-bromopropane 51.52
    gamma-valerolactone 265.3
    n-decanol 16.83
    triethyl phosphate 46.21
    4-methyl-2-pentanol 15.43
    propionitrile 58.55
    vinylene carbonate 117.41
    1,1,2-trichlorotrifluoroethane 144.55
    DMS 81.47
    cumene 22.69
    2-octanol 12.11
    2-hexanone 74.66
    octyl acetate 34.03
    limonene 22.7
    1,2-dimethoxyethane 241.02
    ethyl orthosilicate 40.3
    tributyl phosphate 31.91
    diacetone alcohol 83.28
    N,N-dimethylaniline 69.11
    acrylonitrile 81.22
    aniline 46.78
    1,3-propanediol 42.56
    bromobenzene 54.98
    dibromomethane 112.94
    1,1,2,2-tetrachloroethane 165.73
    2-methyl-cyclohexyl acetate 55.77
    tetrabutyl urea 48.48
    diisobutyl methanol 15.34
    2-phenylethanol 49.45
    styrene 36.76
    dioctyl adipate 48.31
    dimethyl sulfate 169.31
    ethyl butyrate 61.18
    methyl lactate 61.71
    butyl lactate 33.73
    diethyl carbonate 53.03
    propanediol butyl ether 42.87
    triethyl orthoformate 46.53
    p-tert-butyltoluene 16.4
    methyl 4-tert-butylbenzoate 67.62
    morpholine 150.67
    tert-butylamine 26.16
    n-dodecanol 14.13
    dimethoxymethane 208.75
    ethylene carbonate 93.95
    cyrene 96.85
    2-ethoxyethyl acetate 61.42
    2-ethylhexyl acetate 47.78
    1,2,4-trichlorobenzene 72.35
    4-methylpyridine 124.9
    dibutyl ether 33.92
    2,6-dimethyl-4-heptanol 15.34
    DEF 124.09
    dimethyl isosorbide 133.76
    tetrachloroethylene 80.12
    eugenol 67.5
    triacetin 75.62
    span 80 46.9
    1,4-butanediol 25.92
    1,1-dichloroethane 95.62
    2-methyl-1-pentanol 34.34
    methyl formate 125.15
    2-methyl-1-butanol 26.62
    n-decane 3.24
    butyronitrile 55.26
    3,7-dimethyl-1-octanol 22.96
    1-chlorooctane 15.87
    1-chlorotetradecane 8.64
    n-nonane 2.67
    undecane 2.58
    tert-butylcyclohexane 4.03
    cyclooctane 0.86
    cyclopentanol 45.63
    tetrahydropyran 89.41
    tert-amyl methyl ether 51.17
    2,5,8-trioxanonane 127.9
    1-hexene 15.02
    2-isopropoxyethanol 72.04
    2,2,2-trifluoroethanol 55.24
    methyl butyrate 100.95

    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