Avocadenone acetate

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  • Identifiers

    CAS number
    25346-18-3

    Molecular formula
    C19H34O4

    SMILES
    CC(=O)OCC(CC(=O)CCCCCCCCCCCC=C)O

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  • Odor profile

    Fragrance
    Fatty 58.13%
    Waxy 46.44%
    Oily 33.89%
    Sweet 33.46%
    Milky 31.39%
    Buttery 30.86%
    Peach 30.21%
    Fresh 29.8%
    Citrus 29.0%
    Creamy 28.22%

     

    Flavor
    Fruity 44.67%
    Waxy 43.42%
    Oily 36.46%
    Woody 33.68%
    Fatty 33.53%
    Floral 33.27%
    Mild 28.46%
    Soapy 27.44%
    Creamy 25.92%
    Green 25.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.83 (neutral)

    Molecular weight
    326.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    420°C

    Melting point expt.

    • 47 °C

    Flash point

    • 189.6 ˚C est.

  • Synonyms

    • Avocadenone acetate
    • 25346-18-3
    • BCX9J386C5
    • DTXSID601315539
    • RefChem:1077373
    • DTXCID901745444
    • 1-Acetoxy-2-hydroxy-16-heptadecen-4-one
    • (2-hydroxy-4-oxoheptadec-16-enyl) acetate
    • 2-hydroxy-4-oxoheptadec-16-en-1-yl acetate
    • SCHEMBL1164200
    • CHEBI:169753
    • ABA34618
    • LMFA05000594
    • 1,2-Dihydroxy-16-heptadecen-4-one 1-acetate
    • 1-(Acetyloxy)-2-hydroxy-16-heptadecen-4-one
    • 1-acetoxy-2-hydroxy-4-keto-n-heptadeca-16-en
    • 16-Heptadecen-4-one, 1,2-dihydroxy-, 1-acetate
    • 16-Heptadecen-4-one, 1-(acetyloxy)-2-hydroxy-
    • 25346-18-3

  • Applications

    Avocadenone acetate (CAS 25346-18-3) may be used as an aroma-related chemical and fragrance intermediate in perfumery, contributing avocado-like notes to blends; it is also commonly evaluated for use in cosmetics and personal care formulations as a scent ingredient. In household products such as cleaners and air fresheners, it may serve as a fragrance additive to provide characteristic aroma profiles. In industrial manufacturing, it can function as an intermediate or building block for the synthesis of other fragrance and specialty chemicals. Use is subject to local regulations and formulation limits, with regional approvals and restrictions varying.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.44
    methanol 59.8
    isopropanol 32.63
    water 0.03
    ethyl acetate 43.01
    n-propanol 33.33
    acetone 89.69
    n-butanol 30.81
    acetonitrile 21.34
    DMF 235.43
    toluene 19.47
    isobutanol 28.43
    1,4-dioxane 92.38
    methyl acetate 44.69
    THF 343.79
    2-butanone 71.28
    n-pentanol 34.75
    sec-butanol 32.35
    n-hexane 2.18
    ethylene glycol 5.51
    NMP 288.51
    cyclohexane 5.63
    DMSO 570.88
    n-butyl acetate 45.42
    n-octanol 18.84
    chloroform 159.16
    n-propyl acetate 58.25
    acetic acid 72.25
    dichloromethane 159.07
    cyclohexanone 189.72
    propylene glycol 18.57
    isopropyl acetate 44.1
    DMAc 409.86
    2-ethoxyethanol 101.28
    isopentanol 40.9
    n-heptane 1.46
    ethyl formate 36.65
    1,2-dichloroethane 115.62
    n-hexanol 23.39
    2-methoxyethanol 114.84
    isobutyl acetate 40.48
    tetrachloromethane 21.16
    n-pentyl acetate 47.78
    transcutol 433.84
    n-heptanol 16.36
    ethylbenzene 17.62
    MIBK 62.17
    2-propoxyethanol 83.65
    tert-butanol 65.81
    MTBE 49.52
    2-butoxyethanol 62.87
    propionic acid 41.08
    o-xylene 22.43
    formic acid 25.9
    diethyl ether 27.18
    m-xylene 16.97
    p-xylene 23.54
    chlorobenzene 35.91
    dimethyl carbonate 23.37
    n-octane 0.98
    formamide 41.56
    cyclopentanone 228.75
    2-pentanone 64.79
    anisole 51.73
    cyclopentyl methyl ether 89.45
    gamma-butyrolactone 202.2
    1-methoxy-2-propanol 101.52
    pyridine 75.36
    3-pentanone 49.35
    furfural 172.87
    n-dodecane 0.97
    diethylene glycol 54.5
    diisopropyl ether 11.26
    tert-amyl alcohol 57.18
    acetylacetone 113.36
    n-hexadecane 1.15
    acetophenone 71.65
    methyl propionate 42.4
    isopentyl acetate 55.02
    trichloroethylene 203.48
    n-nonanol 19.38
    cyclohexanol 52.23
    benzyl alcohol 45.3
    2-ethylhexanol 19.45
    isooctanol 17.63
    dipropyl ether 23.65
    1,2-dichlorobenzene 46.19
    ethyl lactate 38.26
    propylene carbonate 106.5
    n-methylformamide 59.44
    2-pentanol 21.33
    n-pentane 1.18
    1-propoxy-2-propanol 64.47
    1-methoxy-2-propyl acetate 70.71
    2-(2-methoxypropoxy) propanol 90.75
    mesitylene 12.66
    ε-caprolactone 148.87
    p-cymene 11.91
    epichlorohydrin 226.73
    1,1,1-trichloroethane 92.69
    2-aminoethanol 21.21
    morpholine-4-carbaldehyde 205.87
    sulfolane 412.71
    2,2,4-trimethylpentane 2.72
    2-methyltetrahydrofuran 137.28
    n-hexyl acetate 58.53
    isooctane 1.46
    2-(2-butoxyethoxy)ethanol 118.68
    sec-butyl acetate 41.93
    tert-butyl acetate 72.96
    decalin 5.2
    glycerin 37.02
    diglyme 247.85
    acrylic acid 33.75
    isopropyl myristate 21.37
    n-butyric acid 71.24
    acetyl acetate 41.74
    di(2-ethylhexyl) phthalate 29.61
    ethyl propionate 43.44
    nitromethane 137.28
    1,2-diethoxyethane 76.19
    benzonitrile 41.85
    trioctyl phosphate 18.48
    1-bromopropane 42.56
    gamma-valerolactone 292.69
    n-decanol 12.72
    triethyl phosphate 34.37
    4-methyl-2-pentanol 20.16
    propionitrile 22.67
    vinylene carbonate 79.36
    1,1,2-trichlorotrifluoroethane 190.04
    DMS 45.28
    cumene 14.85
    2-octanol 12.03
    2-hexanone 67.06
    octyl acetate 27.62
    limonene 19.81
    1,2-dimethoxyethane 199.62
    ethyl orthosilicate 35.09
    tributyl phosphate 27.15
    diacetone alcohol 108.7
    N,N-dimethylaniline 44.34
    acrylonitrile 29.58
    aniline 30.99
    1,3-propanediol 37.8
    bromobenzene 35.55
    dibromomethane 90.93
    1,1,2,2-tetrachloroethane 211.17
    2-methyl-cyclohexyl acetate 54.86
    tetrabutyl urea 43.37
    diisobutyl methanol 14.94
    2-phenylethanol 36.28
    styrene 20.67
    dioctyl adipate 49.28
    dimethyl sulfate 77.15
    ethyl butyrate 43.27
    methyl lactate 41.67
    butyl lactate 52.23
    diethyl carbonate 30.22
    propanediol butyl ether 71.45
    triethyl orthoformate 41.96
    p-tert-butyltoluene 11.87
    methyl 4-tert-butylbenzoate 74.56
    morpholine 146.88
    tert-butylamine 29.59
    n-dodecanol 8.77
    dimethoxymethane 95.85
    ethylene carbonate 65.12
    cyrene 104.97
    2-ethoxyethyl acetate 75.9
    2-ethylhexyl acetate 40.48
    1,2,4-trichlorobenzene 59.49
    4-methylpyridine 77.07
    dibutyl ether 30.6
    2,6-dimethyl-4-heptanol 14.94
    DEF 101.79
    dimethyl isosorbide 175.94
    tetrachloroethylene 119.19
    eugenol 70.42
    triacetin 92.84
    span 80 69.5
    1,4-butanediol 18.67
    1,1-dichloroethane 76.6
    2-methyl-1-pentanol 42.27
    methyl formate 41.22
    2-methyl-1-butanol 36.23
    n-decane 1.99
    butyronitrile 29.59
    3,7-dimethyl-1-octanol 23.34
    1-chlorooctane 13.26
    1-chlorotetradecane 4.26
    n-nonane 1.66
    undecane 1.32
    tert-butylcyclohexane 4.05
    cyclooctane 1.58
    cyclopentanol 61.53
    tetrahydropyran 103.26
    tert-amyl methyl ether 47.02
    2,5,8-trioxanonane 168.13
    1-hexene 11.59
    2-isopropoxyethanol 71.43
    2,2,2-trifluoroethanol 30.07
    methyl butyrate 75.84

    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