3-O-Acetyloleanderolide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62498-83-3

    Molecular formula
    C32H50O5

    SMILES
    CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C[C@@H]([C@@]45[C@]3(CC[C@@]6([C@H]4CC(CC6)(C)C)C(=O)O5)C)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 84.49%
    Cedar 55.68%
    Amber 54.62%
    Dry 48.11%
    Balsamic 45.31%
    Camphoreous 42.77%
    Spicy 42.0%
    Pine 41.95%
    Herbal 40.82%
    Earthy 37.91%

     

    Flavor
    Woody 61.59%
    Camphor 55.57%
    Pine 48.68%
    Herbal 47.89%
    Bitter 47.53%
    Balsam 38.43%
    Sweet 34.22%
    Earthy 32.46%
    Spicy 31.47%
    Earth 30.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    5.42 (weak acid)

    Molecular weight
    514.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    325°C

    Flash point

    • 234.28 ˚C est.

  • Synonyms

    • 3-O-Acetyloleanderolide
    • 62498-83-3
    • [(1S,4S,5R,8R,10S,13R,14R,16S,17S,18R)-16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
    • orb1992113
    • CHEMBL1914939
    • DTXSID201267015
    • AKOS032962377
    • FS-8898
    • 3beta-Acetoxy-12-hydroxyoleanan-13,28-olide
    • 3I(2)-Acetoxy-12I+/--hydroxyoleanan-13I(2),28-olide
    • Oleanan-28-oic acid,3,12,13-trihydroxy-,-lactone,3-acetate
    • 12alpha-Hydroxy-28-oxo-18alpha-13,28-epoxyoleanan-3beta-yl acetate
    • 62498-83-3

  • Applications

    3-O-Acetyloleanderolide may serve as a chemical intermediate in organic synthesis; in fragrance-related applications it can function as an odorant or fragrance ingredient and may act as a potential fixative; it is of interest for cosmetics and personal care formulations as a fragrance component or aroma-chemical; in pharmaceutical research it can be used as a building block for the synthesis of natural product derivatives; and in industrial manufacturing and coatings it may act as a precursor or additive in specialty resin and polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.6
    methanol 22.56
    isopropanol 30.24
    water 0.04
    ethyl acetate 30.96
    n-propanol 46.84
    acetone 46.77
    n-butanol 39.6
    acetonitrile 19.97
    DMF 158.05
    toluene 34.99
    isobutanol 29.85
    1,4-dioxane 103.98
    methyl acetate 28.7
    THF 249.24
    2-butanone 53.05
    n-pentanol 32.13
    sec-butanol 19.02
    n-hexane 0.89
    ethylene glycol 5.17
    NMP 153.41
    cyclohexane 1.46
    DMSO 72.8
    n-butyl acetate 26.59
    n-octanol 11.28
    chloroform 103.44
    n-propyl acetate 22.27
    acetic acid 40.95
    dichloromethane 55.96
    cyclohexanone 92.1
    propylene glycol 9.44
    isopropyl acetate 28.16
    DMAc 133.67
    2-ethoxyethanol 54.37
    isopentanol 25.17
    n-heptane 0.63
    ethyl formate 19.92
    1,2-dichloroethane 34.43
    n-hexanol 30.2
    2-methoxyethanol 74.05
    isobutyl acetate 20.74
    tetrachloromethane 14.8
    n-pentyl acetate 31.24
    transcutol 59.87
    n-heptanol 19.11
    ethylbenzene 13.7
    MIBK 29.36
    2-propoxyethanol 99.66
    tert-butanol 17.86
    MTBE 16.27
    2-butoxyethanol 55.52
    propionic acid 28.39
    o-xylene 15.45
    formic acid 14.75
    diethyl ether 28.57
    m-xylene 18.2
    p-xylene 16.94
    chlorobenzene 39.21
    dimethyl carbonate 30.47
    n-octane 0.3
    formamide 21.82
    cyclopentanone 142.58
    2-pentanone 47.49
    anisole 31.45
    cyclopentyl methyl ether 59.13
    gamma-butyrolactone 128.67
    1-methoxy-2-propanol 75.02
    pyridine 102.63
    3-pentanone 37.16
    furfural 85.4
    n-dodecane 0.22
    diethylene glycol 47.63
    diisopropyl ether 6.6
    tert-amyl alcohol 12.7
    acetylacetone 47.83
    n-hexadecane 0.28
    acetophenone 36.18
    methyl propionate 40.97
    isopentyl acetate 28.61
    trichloroethylene 88.49
    n-nonanol 13.21
    cyclohexanol 24.45
    benzyl alcohol 37.99
    2-ethylhexanol 13.11
    isooctanol 14.58
    dipropyl ether 14.87
    1,2-dichlorobenzene 31.87
    ethyl lactate 18.44
    propylene carbonate 48.02
    n-methylformamide 53.61
    2-pentanol 16.71
    n-pentane 0.99
    1-propoxy-2-propanol 55.17
    1-methoxy-2-propyl acetate 48.87
    2-(2-methoxypropoxy) propanol 31.96
    mesitylene 8.83
    ε-caprolactone 75.63
    p-cymene 7.32
    epichlorohydrin 132.14
    1,1,1-trichloroethane 34.7
    2-aminoethanol 18.73
    morpholine-4-carbaldehyde 163.8
    sulfolane 129.33
    2,2,4-trimethylpentane 0.61
    2-methyltetrahydrofuran 73.9
    n-hexyl acetate 32.17
    isooctane 0.53
    2-(2-butoxyethoxy)ethanol 45.18
    sec-butyl acetate 17.63
    tert-butyl acetate 26.97
    decalin 1.17
    glycerin 18.34
    diglyme 77.84
    acrylic acid 28.13
    isopropyl myristate 10.77
    n-butyric acid 44.77
    acetyl acetate 24.82
    di(2-ethylhexyl) phthalate 17.35
    ethyl propionate 21.98
    nitromethane 57.58
    1,2-diethoxyethane 25.25
    benzonitrile 35.13
    trioctyl phosphate 12.77
    1-bromopropane 21.01
    gamma-valerolactone 204.39
    n-decanol 7.36
    triethyl phosphate 12.77
    4-methyl-2-pentanol 11.12
    propionitrile 30.01
    vinylene carbonate 53.8
    1,1,2-trichlorotrifluoroethane 74.29
    DMS 29.38
    cumene 8.46
    2-octanol 8.88
    2-hexanone 31.52
    octyl acetate 15.68
    limonene 8.09
    1,2-dimethoxyethane 71.95
    ethyl orthosilicate 12.64
    tributyl phosphate 11.41
    diacetone alcohol 34.33
    N,N-dimethylaniline 22.45
    acrylonitrile 37.05
    aniline 41.69
    1,3-propanediol 35.85
    bromobenzene 37.34
    dibromomethane 37.59
    1,1,2,2-tetrachloroethane 66.74
    2-methyl-cyclohexyl acetate 23.65
    tetrabutyl urea 18.25
    diisobutyl methanol 5.99
    2-phenylethanol 43.82
    styrene 15.99
    dioctyl adipate 18.9
    dimethyl sulfate 46.93
    ethyl butyrate 19.19
    methyl lactate 30.4
    butyl lactate 28.54
    diethyl carbonate 12.73
    propanediol butyl ether 34.74
    triethyl orthoformate 18.33
    p-tert-butyltoluene 7.13
    methyl 4-tert-butylbenzoate 38.13
    morpholine 136.02
    tert-butylamine 7.84
    n-dodecanol 4.22
    dimethoxymethane 106.9
    ethylene carbonate 44.7
    cyrene 52.71
    2-ethoxyethyl acetate 44.85
    2-ethylhexyl acetate 23.06
    1,2,4-trichlorobenzene 43.06
    4-methylpyridine 81.86
    dibutyl ether 7.66
    2,6-dimethyl-4-heptanol 5.99
    DEF 52.85
    dimethyl isosorbide 62.32
    tetrachloroethylene 46.91
    eugenol 39.58
    triacetin 32.16
    span 80 31.94
    1,4-butanediol 16.84
    1,1-dichloroethane 33.89
    2-methyl-1-pentanol 19.8
    methyl formate 35.63
    2-methyl-1-butanol 23.22
    n-decane 0.56
    butyronitrile 28.61
    3,7-dimethyl-1-octanol 9.55
    1-chlorooctane 4.34
    1-chlorotetradecane 1.29
    n-nonane 0.42
    undecane 0.34
    tert-butylcyclohexane 1.01
    cyclooctane 0.61
    cyclopentanol 39.63
    tetrahydropyran 81.85
    tert-amyl methyl ether 12.73
    2,5,8-trioxanonane 45.59
    1-hexene 5.63
    2-isopropoxyethanol 35.89
    2,2,2-trifluoroethanol 19.23
    methyl butyrate 26.77

    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