1'-Acetoxychavicol Acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    52946-22-2

    Molecular formula
    C13H14O4

    SMILES
    CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 47.04%
    Fruity 39.66%
    Spicy 34.58%
    Odorless 34.06%
    Balsamic 33.59%
    Phenolic 33.36%
    Woody 28.68%
    Grape 28.01%
    Aromatic 25.94%
    Animal 24.97%

     

    Flavor
    Fruity 63.83%
    Sweet 62.63%
    Floral 44.96%
    Powdery 36.24%
    Grape 29.28%
    Creamy 27.53%
    Mild 27.11%
    Woody 25.29%
    Jam 24.97%
    Berry 24.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.32 (neutral)

    Molecular weight
    234.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 156.71 ˚C est.

  • Synonyms

    • 1'-Acetoxychavicol acetate
    • 52946-22-2
    • [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate
    • SQV3080A20
    • (alphaS)-4-(Acetyloxy)-alpha-ethenylbenzenemethanol
    • CHEBI:469
    • Benzenemethanol, 4-(acetyloxy)-alpha-ethenyl-, acetate, (S)-
    • (4-((1S)-1-acetyloxyprop-2-enyl)phenyl) acetate
    • RefChem:408790
    • D,L-1'-Acetoxychavicol acetate
    • Galangal acetate
    • (1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
    • 1'-Acetoxychavicol
    • ACETOXYCHAVICOLACETATE,D/L-1-
    • (S)-4-(1-Acetoxyallyl)phenyl acetate
    • CCRIS 7708
    • Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-, 1-acetate, (.alpha.S)-
    • Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-, acetate, (.alpha.S)-
    • 1'S-1'-Acetoxychavicol acetate
    • UNII-SQV3080A20
    • CHEMBL323727
    • GTPL6298
    • orb1991968
    • GALANGAL ACETATE, (S)-
    • SCHEMBL17454871
    • DTXSID80967420
    • GALANGAL ACETATE, (-)-
    • 1'-S-1'-acetoxychavicol acetate
    • JAMQIUWGGBSIKZ-ZDUSSCGKSA-N
    • GLXC-05634
    • (1'R)-1'-acetoxychavicol acetate
    • EBC-12231
    • AS-87342
    • DA-72522
    • PD046214
    • (1'S)-1'-ACETOXYCHAVICOL ACETATE
    • [4-[(1S)-1-acetoxyallyl]phenyl] acetate
    • 1'-ACETOXYCHAVICOL ACETATE, (-)-
    • HY-114644
    • CS-0063645
    • EN300-27114805
    • Q27070798
    • Z2737403435
    • Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-, acetate, (S)-
    • 52946-22-2

  • Applications

    1'-Acetoxychavicol Acetate (CAS 52946-22-2) is primarily used as a fragrance ingredient and aroma intermediate in perfumery, often contributing distinctive notes and serving as a precursor for additional aroma compounds; it may also be used as a flavor/aroma ingredient in permitted formulations. In cosmetics and personal care, it can function as a fragrance component in creams, lotions and other products; in household products such as air fresheners and cleaners, it serves as a scent additive to impart or modify aroma; in coatings, inks and adhesives it is used as an odorant/fragrance additive to impart or adjust fragrance profiles; and in industrial manufacturing it may be engaged as an intermediate for synthesizing more complex aroma chemicals. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.73
    methanol 43.08
    isopropanol 21.82
    water 0.36
    ethyl acetate 47.96
    n-propanol 19.01
    acetone 144.08
    n-butanol 18.08
    acetonitrile 55.75
    DMF 363.23
    toluene 8.74
    isobutanol 15.84
    1,4-dioxane 79.68
    methyl acetate 76.04
    THF 202.09
    2-butanone 73.33
    n-pentanol 20.45
    sec-butanol 19.18
    n-hexane 1.42
    ethylene glycol 15.3
    NMP 286.38
    cyclohexane 0.48
    DMSO 432.94
    n-butyl acetate 39.83
    n-octanol 17.82
    chloroform 70.22
    n-propyl acetate 39.65
    acetic acid 64.04
    dichloromethane 101.29
    cyclohexanone 84.18
    propylene glycol 18.59
    isopropyl acetate 34.35
    DMAc 508.64
    2-ethoxyethanol 78.97
    isopentanol 20.67
    n-heptane 0.77
    ethyl formate 42.25
    1,2-dichloroethane 65.34
    n-hexanol 15.63
    2-methoxyethanol 117.32
    isobutyl acetate 29.9
    tetrachloromethane 3.39
    n-pentyl acetate 22.75
    transcutol 226.04
    n-heptanol 10.12
    ethylbenzene 14.17
    MIBK 44.73
    2-propoxyethanol 81.59
    tert-butanol 45.46
    MTBE 39.14
    2-butoxyethanol 35.5
    propionic acid 34.59
    o-xylene 11.62
    formic acid 34.45
    diethyl ether 26.67
    m-xylene 10.07
    p-xylene 20.72
    chlorobenzene 27.24
    dimethyl carbonate 51.5
    n-octane 0.81
    formamide 62.51
    cyclopentanone 151.77
    2-pentanone 53.27
    anisole 65.13
    cyclopentyl methyl ether 49.32
    gamma-butyrolactone 176.94
    1-methoxy-2-propanol 92.08
    pyridine 49.61
    3-pentanone 42.71
    furfural 158.28
    n-dodecane 1.8
    diethylene glycol 80.59
    diisopropyl ether 8.91
    tert-amyl alcohol 35.47
    acetylacetone 113.05
    n-hexadecane 2.05
    acetophenone 69.2
    methyl propionate 58.43
    isopentyl acetate 41.72
    trichloroethylene 116.65
    n-nonanol 17.87
    cyclohexanol 18.0
    benzyl alcohol 41.61
    2-ethylhexanol 15.3
    isooctanol 10.58
    dipropyl ether 23.58
    1,2-dichlorobenzene 34.29
    ethyl lactate 37.72
    propylene carbonate 84.48
    n-methylformamide 81.43
    2-pentanol 12.55
    n-pentane 0.47
    1-propoxy-2-propanol 55.66
    1-methoxy-2-propyl acetate 72.89
    2-(2-methoxypropoxy) propanol 80.86
    mesitylene 8.12
    ε-caprolactone 75.16
    p-cymene 11.99
    epichlorohydrin 175.21
    1,1,1-trichloroethane 34.73
    2-aminoethanol 22.28
    morpholine-4-carbaldehyde 230.94
    sulfolane 252.69
    2,2,4-trimethylpentane 1.19
    2-methyltetrahydrofuran 83.09
    n-hexyl acetate 42.37
    isooctane 0.83
    2-(2-butoxyethoxy)ethanol 83.89
    sec-butyl acetate 30.88
    tert-butyl acetate 52.46
    decalin 2.69
    glycerin 43.85
    diglyme 147.33
    acrylic acid 38.06
    isopropyl myristate 23.32
    n-butyric acid 38.58
    acetyl acetate 41.59
    di(2-ethylhexyl) phthalate 28.62
    ethyl propionate 46.42
    nitromethane 183.16
    1,2-diethoxyethane 62.82
    benzonitrile 46.43
    trioctyl phosphate 17.99
    1-bromopropane 23.09
    gamma-valerolactone 196.95
    n-decanol 15.18
    triethyl phosphate 33.57
    4-methyl-2-pentanol 12.32
    propionitrile 33.88
    vinylene carbonate 74.01
    1,1,2-trichlorotrifluoroethane 100.56
    DMS 63.76
    cumene 14.71
    2-octanol 9.38
    2-hexanone 49.4
    octyl acetate 28.09
    limonene 14.47
    1,2-dimethoxyethane 178.47
    ethyl orthosilicate 29.76
    tributyl phosphate 26.58
    diacetone alcohol 73.64
    N,N-dimethylaniline 54.87
    acrylonitrile 51.31
    aniline 25.52
    1,3-propanediol 35.22
    bromobenzene 24.48
    dibromomethane 47.88
    1,1,2,2-tetrachloroethane 85.74
    2-methyl-cyclohexyl acetate 42.24
    tetrabutyl urea 41.8
    diisobutyl methanol 12.24
    2-phenylethanol 34.28
    styrene 17.46
    dioctyl adipate 40.8
    dimethyl sulfate 138.26
    ethyl butyrate 40.45
    methyl lactate 53.38
    butyl lactate 28.78
    diethyl carbonate 35.61
    propanediol butyl ether 47.27
    triethyl orthoformate 33.95
    p-tert-butyltoluene 11.18
    methyl 4-tert-butylbenzoate 61.28
    morpholine 88.14
    tert-butylamine 17.93
    n-dodecanol 12.8
    dimethoxymethane 153.37
    ethylene carbonate 52.6
    cyrene 84.18
    2-ethoxyethyl acetate 43.84
    2-ethylhexyl acetate 31.68
    1,2,4-trichlorobenzene 42.06
    4-methylpyridine 69.71
    dibutyl ether 30.57
    2,6-dimethyl-4-heptanol 12.24
    DEF 90.22
    dimethyl isosorbide 133.08
    tetrachloroethylene 35.91
    eugenol 61.96
    triacetin 68.64
    span 80 48.94
    1,4-butanediol 19.59
    1,1-dichloroethane 42.75
    2-methyl-1-pentanol 24.23
    methyl formate 84.75
    2-methyl-1-butanol 18.43
    n-decane 2.45
    butyronitrile 33.1
    3,7-dimethyl-1-octanol 20.55
    1-chlorooctane 12.1
    1-chlorotetradecane 7.17
    n-nonane 1.93
    undecane 2.08
    tert-butylcyclohexane 3.08
    cyclooctane 0.31
    cyclopentanol 25.47
    tetrahydropyran 41.52
    tert-amyl methyl ether 36.64
    2,5,8-trioxanonane 124.71
    1-hexene 8.93
    2-isopropoxyethanol 54.05
    2,2,2-trifluoroethanol 30.7
    methyl butyrate 60.34

    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