Elemonic acid

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  • Identifiers

    CAS number
    28282-25-9

    Molecular formula
    C30H46O3

    SMILES
    CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C

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  • Odor profile

    Fragrance
    Woody 86.76%
    Amber 56.43%
    Dry 47.84%
    Sandalwood 47.48%
    Cedar 45.5%
    Musk 41.8%
    Vetiver 39.33%
    Balsamic 36.17%
    Powdery 35.46%
    Animal 32.86%

     

    Flavor
    Woody 63.05%
    Balsam 31.4%
    Camphor 27.8%
    Herbal 27.56%
    Wood 27.13%
    Pine 24.79%
    Sandalwood 21.98%
    Sweet 21.6%
    Balsamic 21.29%
    Fir needle 21.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    6.31 (neutral)

    Molecular weight
    454.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Flash point

    • 250.2 ˚C est.

  • Synonyms

    • Elemonic acid
    • DTXSID40590814
    • RefChem:590705
    • DTXCID101778811
    • BETA-ELEMONICACID
    • 28282-25-9
    • CHEMBL479910
    • (2S)-6-methyl-2-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
    • beta-elemonic
    • 3-oxotirucallic acid
    • MFCD00467083
    • |A-Elemonic acid (Standard)
    • orb1304693
    • SCHEMBL5605727
    • HY-N2454R
    • HMS3887E03
    • HMS6018L03
    • 3-oxo-8,24-dien-tirucallic acid
    • HY-N2454
    • BDBM50039667
    • s9408
    • AKOS016036180
    • CCG-269281
    • EBC-616280
    • FE65609
    • (2S)-2-[(1S,3aS,5aR,9aS,11aS)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
    • AS-76965
    • CS-0022682
    • (20S)-3-Oxo-13alpha,14beta,17alpha-lanosta-8,24-dien-21-oic acid
    • 28282-25-9

  • Applications

    Elemonic acid (CAS 28282-25-9) is typically viewed as an organic intermediate in specialty chemical syntheses and is often evaluated for fragrance-related applications; in perfumery it may function as an odorant or fixative component, and in cosmetics/personal care it can be used as a fragrance ingredient in formulations. In industrial manufacturing it serves as a building block or precursor for other specialty chemicals, while in coatings and inks it may be employed as an additive or intermediate to influence formulation properties. In polymers/plastics, it can be used as a precursor or functionalizing agent to introduce specific functionalities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.27
    methanol 9.68
    isopropanol 22.93
    water 0.01
    ethyl acetate 11.58
    n-propanol 36.06
    acetone 13.09
    n-butanol 29.91
    acetonitrile 3.66
    DMF 88.16
    toluene 18.21
    isobutanol 21.81
    1,4-dioxane 47.22
    methyl acetate 10.14
    THF 80.47
    2-butanone 22.45
    n-pentanol 18.11
    sec-butanol 16.76
    n-hexane 0.81
    ethylene glycol 1.49
    NMP 52.29
    cyclohexane 0.91
    DMSO 15.5
    n-butyl acetate 12.33
    n-octanol 5.25
    chloroform 46.67
    n-propyl acetate 8.5
    acetic acid 9.0
    dichloromethane 22.61
    cyclohexanone 32.28
    propylene glycol 4.75
    isopropyl acetate 11.87
    DMAc 64.88
    2-ethoxyethanol 27.67
    isopentanol 18.2
    n-heptane 0.51
    ethyl formate 5.19
    1,2-dichloroethane 14.41
    n-hexanol 20.1
    2-methoxyethanol 38.54
    isobutyl acetate 8.34
    tetrachloromethane 6.21
    n-pentyl acetate 14.83
    transcutol 47.89
    n-heptanol 10.69
    ethylbenzene 7.71
    MIBK 13.15
    2-propoxyethanol 70.82
    tert-butanol 13.78
    MTBE 11.96
    2-butoxyethanol 34.08
    propionic acid 9.91
    o-xylene 8.56
    formic acid 3.12
    diethyl ether 19.16
    m-xylene 10.33
    p-xylene 7.82
    chlorobenzene 14.28
    dimethyl carbonate 10.76
    n-octane 0.19
    formamide 4.98
    cyclopentanone 40.06
    2-pentanone 19.28
    anisole 16.6
    cyclopentyl methyl ether 27.02
    gamma-butyrolactone 31.22
    1-methoxy-2-propanol 50.18
    pyridine 38.73
    3-pentanone 16.2
    furfural 23.74
    n-dodecane 0.09
    diethylene glycol 24.37
    diisopropyl ether 4.11
    tert-amyl alcohol 10.21
    acetylacetone 16.45
    n-hexadecane 0.12
    acetophenone 13.41
    methyl propionate 16.42
    isopentyl acetate 14.23
    trichloroethylene 34.31
    n-nonanol 6.22
    cyclohexanol 14.31
    benzyl alcohol 16.75
    2-ethylhexanol 7.17
    isooctanol 7.86
    dipropyl ether 10.06
    1,2-dichlorobenzene 12.86
    ethyl lactate 7.63
    propylene carbonate 12.99
    n-methylformamide 17.94
    2-pentanol 14.07
    n-pentane 0.98
    1-propoxy-2-propanol 41.48
    1-methoxy-2-propyl acetate 27.61
    2-(2-methoxypropoxy) propanol 20.14
    mesitylene 4.85
    ε-caprolactone 27.26
    p-cymene 3.76
    epichlorohydrin 42.85
    1,1,1-trichloroethane 14.43
    2-aminoethanol 8.9
    morpholine-4-carbaldehyde 70.47
    sulfolane 32.98
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 28.52
    n-hexyl acetate 14.29
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 28.03
    sec-butyl acetate 7.45
    tert-butyl acetate 12.81
    decalin 0.71
    glycerin 7.74
    diglyme 48.21
    acrylic acid 7.87
    isopropyl myristate 4.36
    n-butyric acid 17.94
    acetyl acetate 7.9
    di(2-ethylhexyl) phthalate 8.51
    ethyl propionate 9.14
    nitromethane 12.72
    1,2-diethoxyethane 15.51
    benzonitrile 10.41
    trioctyl phosphate 5.29
    1-bromopropane 11.75
    gamma-valerolactone 66.75
    n-decanol 3.4
    triethyl phosphate 6.1
    4-methyl-2-pentanol 8.06
    propionitrile 10.1
    vinylene carbonate 14.29
    1,1,2-trichlorotrifluoroethane 28.88
    DMS 13.28
    cumene 4.38
    2-octanol 5.02
    2-hexanone 13.0
    octyl acetate 6.2
    limonene 4.29
    1,2-dimethoxyethane 38.89
    ethyl orthosilicate 6.97
    tributyl phosphate 4.81
    diacetone alcohol 17.86
    N,N-dimethylaniline 12.55
    acrylonitrile 10.14
    aniline 21.07
    1,3-propanediol 18.21
    bromobenzene 14.0
    dibromomethane 16.61
    1,1,2,2-tetrachloroethane 31.08
    2-methyl-cyclohexyl acetate 11.27
    tetrabutyl urea 8.11
    diisobutyl methanol 3.98
    2-phenylethanol 22.93
    styrene 8.28
    dioctyl adipate 8.38
    dimethyl sulfate 15.67
    ethyl butyrate 8.96
    methyl lactate 12.92
    butyl lactate 16.05
    diethyl carbonate 5.43
    propanediol butyl ether 19.74
    triethyl orthoformate 10.2
    p-tert-butyltoluene 3.88
    methyl 4-tert-butylbenzoate 20.12
    morpholine 73.51
    tert-butylamine 7.51
    n-dodecanol 1.84
    dimethoxymethane 58.62
    ethylene carbonate 11.92
    cyrene 22.69
    2-ethoxyethyl acetate 23.83
    2-ethylhexyl acetate 10.93
    1,2,4-trichlorobenzene 18.13
    4-methylpyridine 33.18
    dibutyl ether 3.94
    2,6-dimethyl-4-heptanol 3.98
    DEF 24.08
    dimethyl isosorbide 34.24
    tetrachloroethylene 19.43
    eugenol 23.33
    triacetin 14.88
    span 80 17.53
    1,4-butanediol 6.47
    1,1-dichloroethane 15.26
    2-methyl-1-pentanol 11.49
    methyl formate 8.41
    2-methyl-1-butanol 17.72
    n-decane 0.27
    butyronitrile 11.06
    3,7-dimethyl-1-octanol 4.77
    1-chlorooctane 1.94
    1-chlorotetradecane 0.47
    n-nonane 0.22
    undecane 0.15
    tert-butylcyclohexane 0.62
    cyclooctane 0.39
    cyclopentanol 17.49
    tetrahydropyran 39.13
    tert-amyl methyl ether 8.93
    2,5,8-trioxanonane 27.74
    1-hexene 3.96
    2-isopropoxyethanol 19.12
    2,2,2-trifluoroethanol 4.12
    methyl butyrate 10.43

    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