Koetjapic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    142905-27-9

    Molecular formula
    C30H46O4

    SMILES
    CC(=C)[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(=O)O)CC=C3[C@]2(CC[C@@]4([C@H]3C[C@@](CC4)(C)C(=O)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.65%
    Amber 48.28%
    Dry 46.64%
    Cedar 38.0%
    Musk 36.31%
    Balsamic 35.48%
    Sandalwood 33.1%
    Animal 32.64%
    Fatty 29.55%
    Vetiver 29.51%

     

    Flavor
    Woody 56.97%
    Sweet 28.64%
    Camphor 28.41%
    Balsam 26.86%
    Pine 25.09%
    Herbal 24.77%
    Dry 23.84%
    Wood 23.34%
    Sandalwood 22.11%
    Amber 21.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    5.64 (weak acid)

    Molecular weight
    470.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    565°C

    Flash point

    • 274.71 ˚C est.

  • Synonyms

    • Koetjapic acid
    • DTXSID401317222
    • (3S,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid
    • 142905-27-9
    • RefChem:151360
    • DTXCID001747043
    • CHEMBL495066
    • CHEBI:191779
    • BDBM50250352
    • (3S,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(2-carboxyethyl)-3,7,10a,10b,12a-pentamethyl-8-(prop-1-en-2-yl)-1,2,3,4,4a,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysene-3-carboxylic acid
    • 3,4-seco-olean-4(23),12-diene-3,30-dioic acid
    • 142905-27-9

  • Applications

    Koetjapic acid is a natural diterpenoid acid primarily encountered as an isolate. In industry and research, its main uses are as an intermediate for the synthesis of related diterpenoid derivatives, as an analytical reference standard in natural product chemistry, and as a lead scaffold evaluated for potential biological activity. It is also occasionally considered in fragrance or cosmetic research as a candidate odorant or fixative, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.83
    methanol 18.99
    isopropanol 23.3
    water 0.01
    ethyl acetate 10.07
    n-propanol 38.42
    acetone 10.36
    n-butanol 25.9
    acetonitrile 2.94
    DMF 142.44
    toluene 8.41
    isobutanol 18.16
    1,4-dioxane 52.53
    methyl acetate 9.06
    THF 119.45
    2-butanone 17.59
    n-pentanol 14.4
    sec-butanol 17.94
    n-hexane 0.29
    ethylene glycol 2.96
    NMP 66.07
    cyclohexane 0.29
    DMSO 28.5
    n-butyl acetate 9.11
    n-octanol 4.21
    chloroform 35.89
    n-propyl acetate 6.56
    acetic acid 11.11
    dichloromethane 17.17
    cyclohexanone 22.57
    propylene glycol 11.45
    isopropyl acetate 9.0
    DMAc 78.58
    2-ethoxyethanol 39.43
    isopentanol 13.6
    n-heptane 0.2
    ethyl formate 5.54
    1,2-dichloroethane 9.76
    n-hexanol 14.99
    2-methoxyethanol 73.04
    isobutyl acetate 5.2
    tetrachloromethane 3.1
    n-pentyl acetate 11.1
    transcutol 70.61
    n-heptanol 8.94
    ethylbenzene 3.52
    MIBK 8.96
    2-propoxyethanol 87.95
    tert-butanol 12.71
    MTBE 9.04
    2-butoxyethanol 39.24
    propionic acid 11.41
    o-xylene 4.04
    formic acid 5.65
    diethyl ether 12.71
    m-xylene 5.13
    p-xylene 3.17
    chlorobenzene 7.38
    dimethyl carbonate 13.4
    n-octane 0.08
    formamide 8.93
    cyclopentanone 39.4
    2-pentanone 13.91
    anisole 12.89
    cyclopentyl methyl ether 23.06
    gamma-butyrolactone 38.01
    1-methoxy-2-propanol 91.3
    pyridine 32.36
    3-pentanone 10.19
    furfural 28.47
    n-dodecane 0.03
    diethylene glycol 36.57
    diisopropyl ether 2.21
    tert-amyl alcohol 11.47
    acetylacetone 15.09
    n-hexadecane 0.04
    acetophenone 10.77
    methyl propionate 16.76
    isopentyl acetate 9.53
    trichloroethylene 28.98
    n-nonanol 4.57
    cyclohexanol 10.41
    benzyl alcohol 15.24
    2-ethylhexanol 4.54
    isooctanol 5.9
    dipropyl ether 6.21
    1,2-dichlorobenzene 6.95
    ethyl lactate 8.4
    propylene carbonate 13.57
    n-methylformamide 32.09
    2-pentanol 10.81
    n-pentane 0.37
    1-propoxy-2-propanol 48.04
    1-methoxy-2-propyl acetate 27.75
    2-(2-methoxypropoxy) propanol 23.12
    mesitylene 2.33
    ε-caprolactone 24.02
    p-cymene 1.74
    epichlorohydrin 52.81
    1,1,1-trichloroethane 7.62
    2-aminoethanol 17.48
    morpholine-4-carbaldehyde 102.26
    sulfolane 45.05
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 30.29
    n-hexyl acetate 11.18
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 33.18
    sec-butyl acetate 5.35
    tert-butyl acetate 10.56
    decalin 0.27
    glycerin 18.56
    diglyme 57.56
    acrylic acid 10.28
    isopropyl myristate 2.52
    n-butyric acid 18.04
    acetyl acetate 6.21
    di(2-ethylhexyl) phthalate 6.4
    ethyl propionate 6.62
    nitromethane 16.53
    1,2-diethoxyethane 12.82
    benzonitrile 6.77
    trioctyl phosphate 3.8
    1-bromopropane 6.01
    gamma-valerolactone 81.89
    n-decanol 2.21
    triethyl phosphate 4.49
    4-methyl-2-pentanol 5.47
    propionitrile 6.45
    vinylene carbonate 13.75
    1,1,2-trichlorotrifluoroethane 44.08
    DMS 11.42
    cumene 2.07
    2-octanol 3.73
    2-hexanone 8.41
    octyl acetate 4.24
    limonene 2.07
    1,2-dimethoxyethane 45.74
    ethyl orthosilicate 5.0
    tributyl phosphate 3.24
    diacetone alcohol 19.7
    N,N-dimethylaniline 9.9
    acrylonitrile 8.3
    aniline 15.3
    1,3-propanediol 27.2
    bromobenzene 6.19
    dibromomethane 9.73
    1,1,2,2-tetrachloroethane 28.87
    2-methyl-cyclohexyl acetate 7.59
    tetrabutyl urea 5.23
    diisobutyl methanol 2.44
    2-phenylethanol 19.3
    styrene 3.76
    dioctyl adipate 5.76
    dimethyl sulfate 21.91
    ethyl butyrate 6.43
    methyl lactate 20.96
    butyl lactate 15.83
    diethyl carbonate 3.94
    propanediol butyl ether 30.0
    triethyl orthoformate 7.57
    p-tert-butyltoluene 1.89
    methyl 4-tert-butylbenzoate 18.19
    morpholine 99.36
    tert-butylamine 4.59
    n-dodecanol 1.04
    dimethoxymethane 92.03
    ethylene carbonate 10.74
    cyrene 27.45
    2-ethoxyethyl acetate 21.04
    2-ethylhexyl acetate 6.71
    1,2,4-trichlorobenzene 11.54
    4-methylpyridine 24.31
    dibutyl ether 2.31
    2,6-dimethyl-4-heptanol 2.44
    DEF 23.31
    dimethyl isosorbide 37.63
    tetrachloroethylene 16.06
    eugenol 22.04
    triacetin 13.37
    span 80 20.19
    1,4-butanediol 8.38
    1,1-dichloroethane 9.55
    2-methyl-1-pentanol 8.51
    methyl formate 12.97
    2-methyl-1-butanol 14.13
    n-decane 0.11
    butyronitrile 6.77
    3,7-dimethyl-1-octanol 3.42
    1-chlorooctane 0.98
    1-chlorotetradecane 0.19
    n-nonane 0.09
    undecane 0.06
    tert-butylcyclohexane 0.27
    cyclooctane 0.14
    cyclopentanol 17.17
    tetrahydropyran 32.53
    tert-amyl methyl ether 7.73
    2,5,8-trioxanonane 30.1
    1-hexene 1.74
    2-isopropoxyethanol 21.67
    2,2,2-trifluoroethanol 4.88
    methyl butyrate 8.33

    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