Katononic acid

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  • Identifiers

    CAS number
    76094-29-6

    Molecular formula
    C30H46O3

    SMILES
    C[C@]12CC[C@@](C[C@H]1C3=CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 84.04%
    Amber 57.75%
    Dry 52.9%
    Cedar 51.79%
    Musk 44.45%
    Vetiver 37.78%
    Balsamic 35.74%
    Animal 35.55%
    Sandalwood 35.28%
    Camphoreous 33.68%

     

    Flavor
    Woody 55.82%
    Camphor 48.69%
    Pine 38.65%
    Balsam 32.48%
    Herbal 32.45%
    Dry 30.69%
    Earthy 29.75%
    Sweet 29.5%
    Spicy 27.56%
    Fresh 26.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    6.49 (neutral)

    Molecular weight
    454.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    511°C

    Flash point

    • 258.59 ˚C est.

  • Synonyms

    • Katononic acid
    • 3-Oxoolean-12-en-29-oic acid
    • CHEMBL491702
    • 3-oxoolean-12-en-29alpha-oic acid
    • 3-Oxo-olean-12-en-29-oic acid
    • SCHEMBL20511990
    • CHEBI:172019
    • DTXSID901297990
    • BDBM50250348
    • LMPR0106150033
    • (20I+/-)-3-Oxoolean-12-en-29-oic acid
    • (2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
    • 76094-29-6
    • 76094-29-6

  • Applications

    Katononic acid (CAS 76094-29-6) may serve as an intermediate in organic synthesis and as a building block for specialty chemicals used across multiple industries. It is commonly evaluated for fragrance applications as an odor-active ingredient, and may also function as a processing aid or stabilizer in coatings, inks, and polymers. It can act as a chelating agent or a pH-adjusting component in cleaning formulations and cosmetics, depending on formulation constraints and regulatory considerations. Its exact role is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.26
    methanol 8.99
    isopropanol 16.87
    water 0.0
    ethyl acetate 9.31
    n-propanol 29.58
    acetone 9.48
    n-butanol 23.59
    acetonitrile 3.07
    DMF 102.21
    toluene 16.54
    isobutanol 16.79
    1,4-dioxane 51.91
    methyl acetate 7.62
    THF 81.34
    2-butanone 15.79
    n-pentanol 14.35
    sec-butanol 12.43
    n-hexane 0.5
    ethylene glycol 1.25
    NMP 44.2
    cyclohexane 0.54
    DMSO 12.89
    n-butyl acetate 9.2
    n-octanol 4.75
    chloroform 34.53
    n-propyl acetate 6.46
    acetic acid 6.47
    dichloromethane 16.01
    cyclohexanone 22.66
    propylene glycol 4.18
    isopropyl acetate 9.9
    DMAc 50.11
    2-ethoxyethanol 25.67
    isopentanol 13.24
    n-heptane 0.39
    ethyl formate 3.92
    1,2-dichloroethane 9.53
    n-hexanol 15.78
    2-methoxyethanol 39.81
    isobutyl acetate 6.49
    tetrachloromethane 4.0
    n-pentyl acetate 12.21
    transcutol 51.67
    n-heptanol 9.89
    ethylbenzene 6.45
    MIBK 10.05
    2-propoxyethanol 70.46
    tert-butanol 10.33
    MTBE 10.06
    2-butoxyethanol 33.91
    propionic acid 7.49
    o-xylene 7.11
    formic acid 2.46
    diethyl ether 15.8
    m-xylene 9.34
    p-xylene 6.1
    chlorobenzene 11.51
    dimethyl carbonate 9.66
    n-octane 0.15
    formamide 4.22
    cyclopentanone 32.9
    2-pentanone 14.76
    anisole 17.66
    cyclopentyl methyl ether 24.33
    gamma-butyrolactone 26.22
    1-methoxy-2-propanol 52.78
    pyridine 38.14
    3-pentanone 11.4
    furfural 23.5
    n-dodecane 0.07
    diethylene glycol 22.42
    diisopropyl ether 3.4
    tert-amyl alcohol 7.64
    acetylacetone 14.22
    n-hexadecane 0.08
    acetophenone 12.26
    methyl propionate 13.84
    isopentyl acetate 10.33
    trichloroethylene 27.34
    n-nonanol 5.69
    cyclohexanol 10.05
    benzyl alcohol 15.53
    2-ethylhexanol 5.8
    isooctanol 7.2
    dipropyl ether 9.07
    1,2-dichlorobenzene 9.68
    ethyl lactate 6.33
    propylene carbonate 10.5
    n-methylformamide 16.79
    2-pentanol 10.37
    n-pentane 0.6
    1-propoxy-2-propanol 41.49
    1-methoxy-2-propyl acetate 25.67
    2-(2-methoxypropoxy) propanol 19.06
    mesitylene 4.32
    ε-caprolactone 20.7
    p-cymene 3.25
    epichlorohydrin 38.5
    1,1,1-trichloroethane 9.47
    2-aminoethanol 8.03
    morpholine-4-carbaldehyde 77.65
    sulfolane 26.52
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 25.0
    n-hexyl acetate 12.35
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 28.29
    sec-butyl acetate 5.85
    tert-butyl acetate 11.32
    decalin 0.48
    glycerin 6.75
    diglyme 48.13
    acrylic acid 6.24
    isopropyl myristate 3.51
    n-butyric acid 13.8
    acetyl acetate 6.21
    di(2-ethylhexyl) phthalate 7.01
    ethyl propionate 6.95
    nitromethane 10.4
    1,2-diethoxyethane 14.88
    benzonitrile 8.83
    trioctyl phosphate 4.19
    1-bromopropane 7.15
    gamma-valerolactone 65.81
    n-decanol 2.92
    triethyl phosphate 4.79
    4-methyl-2-pentanol 6.18
    propionitrile 7.31
    vinylene carbonate 11.85
    1,1,2-trichlorotrifluoroethane 25.31
    DMS 11.43
    cumene 3.7
    2-octanol 4.39
    2-hexanone 9.33
    octyl acetate 5.1
    limonene 3.39
    1,2-dimethoxyethane 37.89
    ethyl orthosilicate 5.59
    tributyl phosphate 3.63
    diacetone alcohol 16.1
    N,N-dimethylaniline 13.13
    acrylonitrile 8.29
    aniline 19.15
    1,3-propanediol 15.05
    bromobenzene 10.98
    dibromomethane 10.9
    1,1,2,2-tetrachloroethane 24.25
    2-methyl-cyclohexyl acetate 8.28
    tetrabutyl urea 5.83
    diisobutyl methanol 3.47
    2-phenylethanol 20.08
    styrene 7.18
    dioctyl adipate 6.7
    dimethyl sulfate 13.47
    ethyl butyrate 7.04
    methyl lactate 11.67
    butyl lactate 14.61
    diethyl carbonate 4.22
    propanediol butyl ether 19.95
    triethyl orthoformate 8.66
    p-tert-butyltoluene 3.57
    methyl 4-tert-butylbenzoate 19.18
    morpholine 80.4
    tert-butylamine 5.45
    n-dodecanol 1.47
    dimethoxymethane 66.92
    ethylene carbonate 9.26
    cyrene 21.61
    2-ethoxyethyl acetate 20.87
    2-ethylhexyl acetate 7.98
    1,2,4-trichlorobenzene 14.96
    4-methylpyridine 30.86
    dibutyl ether 3.29
    2,6-dimethyl-4-heptanol 3.47
    DEF 20.46
    dimethyl isosorbide 34.84
    tetrachloroethylene 15.65
    eugenol 21.32
    triacetin 13.22
    span 80 16.96
    1,4-butanediol 4.85
    1,1-dichloroethane 9.96
    2-methyl-1-pentanol 8.3
    methyl formate 7.79
    2-methyl-1-butanol 12.95
    n-decane 0.2
    butyronitrile 7.71
    3,7-dimethyl-1-octanol 4.25
    1-chlorooctane 1.46
    1-chlorotetradecane 0.32
    n-nonane 0.17
    undecane 0.11
    tert-butylcyclohexane 0.49
    cyclooctane 0.28
    cyclopentanol 12.69
    tetrahydropyran 35.37
    tert-amyl methyl ether 7.3
    2,5,8-trioxanonane 26.66
    1-hexene 2.64
    2-isopropoxyethanol 17.06
    2,2,2-trifluoroethanol 2.85
    methyl butyrate 7.9

    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