3-Acetylaleuritolic Acid

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  • Identifiers

    CAS number
    28937-85-1

    Molecular formula
    C32H50O4

    SMILES
    CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C(=O)O)(C)C)C)C

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  • Odor profile

    Fragrance
    Woody 87.7%
    Amber 61.79%
    Cedar 57.82%
    Dry 55.49%
    Balsamic 46.51%
    Musk 45.08%
    Vetiver 41.57%
    Sandalwood 37.9%
    Pine 36.54%
    Spicy 35.27%

     

    Flavor
    Woody 68.03%
    Sweet 62.0%
    Camphor 48.55%
    Pine 48.02%
    Balsam 42.91%
    Herbal 40.09%
    Dry 38.14%
    Fresh 31.12%
    Powdery 28.39%
    Spicy 27.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.4

    pKa est.
    5.71 (weak acid)

    Molecular weight
    498.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    535°C

    Flash point

    • 266.16 ˚C est.

  • Synonyms

    • Acetylaleuritolic acid
    • Acetyl aleuritolic acid
    • 28937-85-1
    • 3-acetylaleuritolic acid
    • CHEBI:70418
    • (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
    • D-Friedoolean-14-en-28-oic acid, 3-(acetyloxy)-, (3beta)-
    • RefChem:109042
    • HEXADECNOIC ACID (ACETYLOXY) DIHYDROXY-
    • ALEURITOLIC ACID, ACETYL-
    • NSC 266221
    • Maprounic Acid Acetate
    • (4as,6br,8ar,10s,12ar,12br,14as,14bs)-10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2h)-carboxylic acid
    • CHEMBL439422
    • orb1702624
    • Hexadecanoic acid, (acetyloxy)dihydroxy-, (R*,S*)-(+-)-
    • BDBM50478510
    • AKOS040746500
    • CS-0091103
    • 3beta-acetoxyfriedoolean-14-ene-28-oic acid
    • Q27138756
    • (4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid
    • 28937-85-1

  • Applications

    3-Acetylaleuritolic Acid (CAS 28937-85-1) is commonly explored as an intermediate in the synthesis of pentacyclic triterpenoid derivatives for pharmaceutical and agrochemical research; it may also be evaluated for cosmetic and personal care applications as a lipophilic building block, and for polymer and plastics as well as coatings applications as a precursor or functionalizing agent for bio-based resin systems; additional potential uses include research in coatings/inks and agriculture to probe biological activity and formulation behavior.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.12
    methanol 11.29
    isopropanol 20.36
    water 0.01
    ethyl acetate 11.04
    n-propanol 35.95
    acetone 13.54
    n-butanol 28.0
    acetonitrile 4.57
    DMF 88.85
    toluene 16.58
    isobutanol 21.13
    1,4-dioxane 44.96
    methyl acetate 10.53
    THF 97.72
    2-butanone 22.7
    n-pentanol 19.75
    sec-butanol 17.31
    n-hexane 0.71
    ethylene glycol 1.77
    NMP 64.47
    cyclohexane 0.75
    DMSO 20.67
    n-butyl acetate 11.64
    n-octanol 6.42
    chloroform 44.09
    n-propyl acetate 8.63
    acetic acid 10.29
    dichloromethane 22.15
    cyclohexanone 33.46
    propylene glycol 6.2
    isopropyl acetate 10.08
    DMAc 64.82
    2-ethoxyethanol 28.84
    isopentanol 15.97
    n-heptane 0.48
    ethyl formate 6.57
    1,2-dichloroethane 14.06
    n-hexanol 19.37
    2-methoxyethanol 40.48
    isobutyl acetate 7.92
    tetrachloromethane 5.4
    n-pentyl acetate 15.2
    transcutol 38.82
    n-heptanol 11.39
    ethylbenzene 6.82
    MIBK 11.58
    2-propoxyethanol 65.97
    tert-butanol 10.97
    MTBE 10.57
    2-butoxyethanol 33.13
    propionic acid 11.17
    o-xylene 7.49
    formic acid 3.82
    diethyl ether 17.84
    m-xylene 8.92
    p-xylene 6.57
    chlorobenzene 13.86
    dimethyl carbonate 9.99
    n-octane 0.18
    formamide 5.7
    cyclopentanone 46.66
    2-pentanone 19.2
    anisole 14.41
    cyclopentyl methyl ether 28.87
    gamma-butyrolactone 38.25
    1-methoxy-2-propanol 50.93
    pyridine 42.04
    3-pentanone 15.58
    furfural 27.84
    n-dodecane 0.09
    diethylene glycol 24.04
    diisopropyl ether 3.46
    tert-amyl alcohol 9.84
    acetylacetone 15.11
    n-hexadecane 0.11
    acetophenone 13.12
    methyl propionate 16.99
    isopentyl acetate 12.17
    trichloroethylene 33.24
    n-nonanol 7.33
    cyclohexanol 14.43
    benzyl alcohol 17.56
    2-ethylhexanol 7.38
    isooctanol 8.0
    dipropyl ether 9.71
    1,2-dichlorobenzene 11.1
    ethyl lactate 8.16
    propylene carbonate 14.57
    n-methylformamide 21.23
    2-pentanol 13.03
    n-pentane 0.86
    1-propoxy-2-propanol 39.73
    1-methoxy-2-propyl acetate 23.83
    2-(2-methoxypropoxy) propanol 19.19
    mesitylene 3.9
    ε-caprolactone 29.73
    p-cymene 3.43
    epichlorohydrin 50.51
    1,1,1-trichloroethane 11.94
    2-aminoethanol 10.08
    morpholine-4-carbaldehyde 74.24
    sulfolane 39.18
    2,2,4-trimethylpentane 0.46
    2-methyltetrahydrofuran 34.42
    n-hexyl acetate 15.69
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 26.99
    sec-butyl acetate 6.89
    tert-butyl acetate 10.64
    decalin 0.63
    glycerin 8.84
    diglyme 43.53
    acrylic acid 9.21
    isopropyl myristate 4.19
    n-butyric acid 18.05
    acetyl acetate 6.78
    di(2-ethylhexyl) phthalate 7.99
    ethyl propionate 8.69
    nitromethane 14.54
    1,2-diethoxyethane 13.9
    benzonitrile 11.28
    trioctyl phosphate 5.43
    1-bromopropane 11.48
    gamma-valerolactone 72.15
    n-decanol 3.87
    triethyl phosphate 5.33
    4-methyl-2-pentanol 6.87
    propionitrile 10.56
    vinylene carbonate 15.93
    1,1,2-trichlorotrifluoroethane 30.13
    DMS 11.75
    cumene 3.92
    2-octanol 5.32
    2-hexanone 13.47
    octyl acetate 6.57
    limonene 4.15
    1,2-dimethoxyethane 35.67
    ethyl orthosilicate 6.08
    tributyl phosphate 4.79
    diacetone alcohol 16.28
    N,N-dimethylaniline 11.09
    acrylonitrile 11.21
    aniline 19.65
    1,3-propanediol 19.0
    bromobenzene 13.04
    dibromomethane 16.02
    1,1,2,2-tetrachloroethane 29.84
    2-methyl-cyclohexyl acetate 10.03
    tetrabutyl urea 7.89
    diisobutyl methanol 3.42
    2-phenylethanol 21.05
    styrene 7.2
    dioctyl adipate 8.05
    dimethyl sulfate 15.3
    ethyl butyrate 8.42
    methyl lactate 13.96
    butyl lactate 16.01
    diethyl carbonate 4.86
    propanediol butyl ether 23.22
    triethyl orthoformate 8.85
    p-tert-butyltoluene 3.32
    methyl 4-tert-butylbenzoate 17.95
    morpholine 76.77
    tert-butylamine 5.7
    n-dodecanol 1.99
    dimethoxymethane 56.75
    ethylene carbonate 12.86
    cyrene 23.87
    2-ethoxyethyl acetate 23.25
    2-ethylhexyl acetate 9.8
    1,2,4-trichlorobenzene 17.13
    4-methylpyridine 34.29
    dibutyl ether 3.98
    2,6-dimethyl-4-heptanol 3.42
    DEF 25.51
    dimethyl isosorbide 29.88
    tetrachloroethylene 18.54
    eugenol 20.57
    triacetin 14.06
    span 80 18.36
    1,4-butanediol 7.49
    1,1-dichloroethane 14.03
    2-methyl-1-pentanol 11.88
    methyl formate 10.67
    2-methyl-1-butanol 16.72
    n-decane 0.26
    butyronitrile 11.66
    3,7-dimethyl-1-octanol 4.88
    1-chlorooctane 2.16
    1-chlorotetradecane 0.48
    n-nonane 0.22
    undecane 0.14
    tert-butylcyclohexane 0.57
    cyclooctane 0.34
    cyclopentanol 20.48
    tetrahydropyran 41.02
    tert-amyl methyl ether 9.02
    2,5,8-trioxanonane 24.34
    1-hexene 3.84
    2-isopropoxyethanol 19.33
    2,2,2-trifluoroethanol 4.22
    methyl butyrate 10.76

    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