4-(Acetyloxy)-alpha-ethenylbenzenemethanol

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  • Identifiers

    CAS number
    101135-02-8

    Molecular formula
    C11H12O3

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 42.55%
    Balsamic 40.34%
    Sweet 39.05%
    Phenolic 37.53%
    Spicy 37.12%
    Vanilla 36.76%
    Fruity 32.38%
    Odorless 30.03%
    Aromatic 29.77%
    Woody 28.67%

     

    Flavor
    Sweet 68.35%
    Fruity 50.21%
    Floral 39.32%
    Powdery 36.41%
    Mild 31.25%
    Balsam 29.54%
    Creamy 27.43%
    Spicy 27.31%
    Grape 25.83%
    Vanilla 24.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.86 (weak base)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 142.82 ˚C est.

  • Synonyms

    • 101135-02-8
    • RefChem:288429
    • 4-(Acetyloxy)-alpha-ethenylbenzenemethanol
    • 1'-Hydroxychavicol acetate
    • [4-(1-hydroxyprop-2-enyl)phenyl] acetate
    • Benzenemethanol, 4-(acetyloxy)-alpha-ethenyl-
    • 4-(1-hydroxyallyl)phenyl acetate
    • 4-(1-HYDROXYPROP-2-EN-1-YL)PHENYL ACETATE
    • 1'-S-1'-Hydroxychavicol acetate
    • CHEBI:173929
    • DTXSID101284684
    • [4-(1-hydroxyallyl)phenyl] acetate
    • 4-(Acetyloxy)-I+/--ethenylbenzenemethanol
    • 101135-02-8

  • Applications

    4-(Acetyloxy)-alpha-ethenylbenzenemethanol (CAS 101135-02-8) is primarily used as an organic-synthesis intermediate and a building block in fragrance chemistry, often serving as a precursor to aroma components for perfumery. Its vinyl group enables polymerization, making it suitable as a monomer or functional comonomer in specialty polymers, coatings, and inks. The acetoxy group provides a derivatizable handle for synthetic routes and protective chemistry, supporting the preparation of intermediates for pharmaceutical or agrochemical synthesis under regulatory control. It may also function as a fragrance intermediate in cosmetics and personal-care formulations within regulatory limits, and as a reactive intermediate in adhesive and surface-coating chemistries for functional materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.88
    methanol 60.35
    isopropanol 39.73
    water 0.35
    ethyl acetate 35.23
    n-propanol 34.98
    acetone 106.17
    n-butanol 33.2
    acetonitrile 28.64
    DMF 379.82
    toluene 3.96
    isobutanol 23.74
    1,4-dioxane 65.3
    methyl acetate 52.3
    THF 209.61
    2-butanone 68.78
    n-pentanol 33.11
    sec-butanol 33.28
    n-hexane 0.75
    ethylene glycol 28.71
    NMP 227.9
    cyclohexane 0.14
    DMSO 498.49
    n-butyl acetate 38.47
    n-octanol 15.88
    chloroform 26.23
    n-propyl acetate 31.15
    acetic acid 62.65
    dichloromethane 30.32
    cyclohexanone 66.86
    propylene glycol 44.01
    isopropyl acetate 30.56
    DMAc 405.01
    2-ethoxyethanol 107.83
    isopentanol 35.2
    n-heptane 0.61
    ethyl formate 23.55
    1,2-dichloroethane 29.09
    n-hexanol 27.9
    2-methoxyethanol 162.63
    isobutyl acetate 24.77
    tetrachloromethane 2.06
    n-pentyl acetate 18.97
    transcutol 446.58
    n-heptanol 13.37
    ethylbenzene 6.56
    MIBK 45.95
    2-propoxyethanol 96.02
    tert-butanol 87.08
    MTBE 52.84
    2-butoxyethanol 42.68
    propionic acid 38.53
    o-xylene 6.74
    formic acid 44.48
    diethyl ether 26.53
    m-xylene 7.27
    p-xylene 8.85
    chlorobenzene 12.89
    dimethyl carbonate 38.34
    n-octane 0.49
    formamide 78.01
    cyclopentanone 130.55
    2-pentanone 52.82
    anisole 46.44
    cyclopentyl methyl ether 50.85
    gamma-butyrolactone 139.25
    1-methoxy-2-propanol 134.77
    pyridine 25.84
    3-pentanone 35.77
    furfural 109.35
    n-dodecane 0.93
    diethylene glycol 111.73
    diisopropyl ether 9.76
    tert-amyl alcohol 62.74
    acetylacetone 85.44
    n-hexadecane 1.05
    acetophenone 46.47
    methyl propionate 45.31
    isopentyl acetate 41.93
    trichloroethylene 59.32
    n-nonanol 15.58
    cyclohexanol 19.97
    benzyl alcohol 35.32
    2-ethylhexanol 19.3
    isooctanol 12.94
    dipropyl ether 20.59
    1,2-dichlorobenzene 17.97
    ethyl lactate 35.81
    propylene carbonate 57.64
    n-methylformamide 82.67
    2-pentanol 24.98
    n-pentane 0.27
    1-propoxy-2-propanol 70.99
    1-methoxy-2-propyl acetate 71.58
    2-(2-methoxypropoxy) propanol 92.63
    mesitylene 6.26
    ε-caprolactone 59.6
    p-cymene 8.56
    epichlorohydrin 135.96
    1,1,1-trichloroethane 18.3
    2-aminoethanol 44.49
    morpholine-4-carbaldehyde 199.27
    sulfolane 241.69
    2,2,4-trimethylpentane 1.28
    2-methyltetrahydrofuran 80.02
    n-hexyl acetate 34.93
    isooctane 1.05
    2-(2-butoxyethoxy)ethanol 108.13
    sec-butyl acetate 27.15
    tert-butyl acetate 54.9
    decalin 1.46
    glycerin 87.59
    diglyme 165.2
    acrylic acid 41.14
    isopropyl myristate 18.24
    n-butyric acid 38.85
    acetyl acetate 27.82
    di(2-ethylhexyl) phthalate 22.52
    ethyl propionate 32.5
    nitromethane 160.95
    1,2-diethoxyethane 70.68
    benzonitrile 28.5
    trioctyl phosphate 15.33
    1-bromopropane 11.07
    gamma-valerolactone 158.68
    n-decanol 12.86
    triethyl phosphate 27.16
    4-methyl-2-pentanol 21.35
    propionitrile 24.06
    vinylene carbonate 45.93
    1,1,2-trichlorotrifluoroethane 103.0
    DMS 50.1
    cumene 8.24
    2-octanol 10.34
    2-hexanone 45.25
    octyl acetate 22.14
    limonene 11.78
    1,2-dimethoxyethane 155.82
    ethyl orthosilicate 24.72
    tributyl phosphate 22.95
    diacetone alcohol 97.49
    N,N-dimethylaniline 37.45
    acrylonitrile 34.47
    aniline 19.91
    1,3-propanediol 61.07
    bromobenzene 9.99
    dibromomethane 14.87
    1,1,2,2-tetrachloroethane 50.25
    2-methyl-cyclohexyl acetate 34.94
    tetrabutyl urea 33.8
    diisobutyl methanol 14.89
    2-phenylethanol 33.32
    styrene 7.87
    dioctyl adipate 32.21
    dimethyl sulfate 113.71
    ethyl butyrate 31.28
    methyl lactate 56.65
    butyl lactate 29.98
    diethyl carbonate 25.98
    propanediol butyl ether 62.01
    triethyl orthoformate 29.82
    p-tert-butyltoluene 9.13
    methyl 4-tert-butylbenzoate 49.87
    morpholine 96.66
    tert-butylamine 31.79
    n-dodecanol 10.69
    dimethoxymethane 147.33
    ethylene carbonate 33.74
    cyrene 78.42
    2-ethoxyethyl acetate 42.3
    2-ethylhexyl acetate 30.24
    1,2,4-trichlorobenzene 26.37
    4-methylpyridine 39.06
    dibutyl ether 22.84
    2,6-dimethyl-4-heptanol 14.89
    DEF 76.4
    dimethyl isosorbide 130.13
    tetrachloroethylene 21.59
    eugenol 54.9
    triacetin 57.33
    span 80 55.09
    1,4-butanediol 30.36
    1,1-dichloroethane 19.7
    2-methyl-1-pentanol 34.54
    methyl formate 60.47
    2-methyl-1-butanol 30.21
    n-decane 1.27
    butyronitrile 23.97
    3,7-dimethyl-1-octanol 20.17
    1-chlorooctane 7.57
    1-chlorotetradecane 4.03
    n-nonane 1.01
    undecane 1.07
    tert-butylcyclohexane 2.22
    cyclooctane 0.16
    cyclopentanol 28.62
    tetrahydropyran 32.43
    tert-amyl methyl ether 44.11
    2,5,8-trioxanonane 139.81
    1-hexene 5.91
    2-isopropoxyethanol 70.72
    2,2,2-trifluoroethanol 29.7
    methyl butyrate 40.69

    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