Kaurenoic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6730-83-2

    Molecular formula
    C20H30O2

    SMILES
    C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.36%
    Amber 41.67%
    Dry 39.36%
    Balsamic 37.61%
    Cedar 36.6%
    Green 33.83%
    Animal 32.42%
    Spicy 29.45%
    Fresh 28.86%
    Musk 28.12%

     

    Flavor
    Woody 35.44%
    Sweet 29.58%
    Fruity 29.03%
    Herbal 24.93%
    Fruit 24.73%
    Balsam 24.31%
    Spicy 24.2%
    Camphor 24.04%
    Fir needle 23.75%
    Herb 23.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    8.35 (weak base)

    Molecular weight
    302.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    451°C

    Flash point

    • 199.19 ˚C est.

  • Synonyms

    • Kaurenoic acid
    • Ent-kaurenoic acid
    • 6730-83-2
    • Kaurenic acid
    • Kaur-16-en-18-oic acid
    • Cunabic acid
    • D572D9R2TZ
    • ent-Kaur-16(17)-en-19-oic acid
    • NSC-339145
    • (1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
    • DTXSID50942466
    • DTXSID801024912
    • (1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxylic acid
    • RefChem:151026
    • DTXCID301370867
    • DTXCID701772778
    • Kauren-19-oic acid
    • ent-Kaur-16-en-19-oic acid
    • MFCD28978039
    • Kaur-16-en-18-oic acid, (4alpha)-
    • CHEBI:15417
    • (-)-Kaur-16-en-19-oic acid
    • (4R,4aS,6aS,9R,11aR,11bS)-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
    • (4R,4aS,6aS,9S,11aR,11bS)-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
    • (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid
    • NSC 339145
    • kaurenoicacid
    • NSC339145
    • NE4
    • Kaurenoic acid (Standard)
    • 3beta-hydroxy-kaurenoic acid
    • UNII-D572D9R2TZ
    • CHEMBL489140
    • orb1303547
    • Ent-kaur-16-en-18-oic acid
    • SCHEMBL21803663
    • HY-N1469R
    • HY-N1469
    • BDBM50466103
    • s9439
    • AKOS026674268
    • CCG-267494
    • EBC-615964
    • FK74528
    • AS-56534
    • DA-64715
    • Kaurenoic acid, >=95% (LC/MS-ELSD)
    • CS-0016962
    • Q27089430
    • (5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid
    • (1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
    • (1S,4S,5R,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
    • (1S,9S,5R,13R)-5,9-dimethyl-14-methylenetetracyclo[11.2.1.0<1,10>.0<4,9>]hexadecane-5-carboxylic acid
    • 6730-83-2

  • Applications

    Kaurenoic Acid (CAS 6730-83-2) is primarily used as an intermediate in the synthesis of diterpenoid natural products; in pharmaceutical R&D it serves as a building block for potential derivatives and as a reference material for analytical methods. In agricultural science, it is considered a scaffold for developing bioactive diterpenoid derivatives with potential plant-protection properties. In industrial manufacturing, it may serve as a starting material for the synthesis of specialty chemicals and natural-product-based compounds. In academic research, it is used as a research chemical for biosynthesis studies and structure-activity investigations of ent-kaurane-type diterpenoids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 167.51
    methanol 177.68
    isopropanol 260.34
    water 0.29
    ethyl acetate 143.85
    n-propanol 238.12
    acetone 177.86
    n-butanol 242.87
    acetonitrile 65.29
    DMF 429.6
    toluene 294.65
    isobutanol 149.24
    1,4-dioxane 380.35
    methyl acetate 82.72
    THF 1183.23
    2-butanone 162.11
    n-pentanol 45.48
    sec-butanol 82.93
    n-hexane 1.34
    ethylene glycol 17.17
    NMP 121.07
    cyclohexane 6.12
    DMSO 104.77
    n-butyl acetate 89.43
    n-octanol 16.5
    chloroform 349.04
    n-propyl acetate 50.93
    acetic acid 50.65
    dichloromethane 208.03
    cyclohexanone 241.59
    propylene glycol 29.71
    isopropyl acetate 146.97
    DMAc 148.97
    2-ethoxyethanol 87.44
    isopentanol 168.07
    n-heptane 1.32
    ethyl formate 56.08
    1,2-dichloroethane 139.33
    n-hexanol 78.9
    2-methoxyethanol 332.53
    isobutyl acetate 48.66
    tetrachloromethane 33.53
    n-pentyl acetate 60.99
    transcutol 298.97
    n-heptanol 36.09
    ethylbenzene 44.95
    MIBK 139.77
    2-propoxyethanol 247.6
    tert-butanol 191.11
    MTBE 112.63
    2-butoxyethanol 113.11
    propionic acid 54.87
    o-xylene 79.26
    formic acid 26.49
    diethyl ether 145.34
    m-xylene 149.13
    p-xylene 46.74
    chlorobenzene 139.71
    dimethyl carbonate 77.94
    n-octane 0.59
    formamide 54.13
    cyclopentanone 386.58
    2-pentanone 200.91
    anisole 103.05
    cyclopentyl methyl ether 258.13
    gamma-butyrolactone 287.85
    1-methoxy-2-propanol 356.56
    pyridine 354.91
    3-pentanone 101.53
    furfural 225.04
    n-dodecane 0.45
    diethylene glycol 140.23
    diisopropyl ether 35.53
    tert-amyl alcohol 64.38
    acetylacetone 188.21
    n-hexadecane 0.57
    acetophenone 79.24
    methyl propionate 123.83
    isopentyl acetate 105.34
    trichloroethylene 295.55
    n-nonanol 18.25
    cyclohexanol 120.82
    benzyl alcohol 90.14
    2-ethylhexanol 29.21
    isooctanol 30.37
    dipropyl ether 39.44
    1,2-dichlorobenzene 99.21
    ethyl lactate 38.02
    propylene carbonate 116.66
    n-methylformamide 161.11
    2-pentanol 100.57
    n-pentane 3.79
    1-propoxy-2-propanol 163.83
    1-methoxy-2-propyl acetate 182.64
    2-(2-methoxypropoxy) propanol 75.36
    mesitylene 63.41
    ε-caprolactone 163.75
    p-cymene 24.07
    epichlorohydrin 365.48
    1,1,1-trichloroethane 107.94
    2-aminoethanol 66.1
    morpholine-4-carbaldehyde 232.32
    sulfolane 195.95
    2,2,4-trimethylpentane 1.89
    2-methyltetrahydrofuran 265.89
    n-hexyl acetate 56.72
    isooctane 2.94
    2-(2-butoxyethoxy)ethanol 116.98
    sec-butyl acetate 51.19
    tert-butyl acetate 145.39
    decalin 2.65
    glycerin 57.18
    diglyme 218.11
    acrylic acid 46.76
    isopropyl myristate 21.73
    n-butyric acid 144.76
    acetyl acetate 76.98
    di(2-ethylhexyl) phthalate 32.13
    ethyl propionate 56.05
    nitromethane 97.3
    1,2-diethoxyethane 89.01
    benzonitrile 104.57
    trioctyl phosphate 22.0
    1-bromopropane 72.64
    gamma-valerolactone 465.28
    n-decanol 11.88
    triethyl phosphate 27.89
    4-methyl-2-pentanol 69.78
    propionitrile 128.28
    vinylene carbonate 118.65
    1,1,2-trichlorotrifluoroethane 148.6
    DMS 68.2
    cumene 26.01
    2-octanol 17.92
    2-hexanone 47.72
    octyl acetate 25.21
    limonene 22.55
    1,2-dimethoxyethane 175.94
    ethyl orthosilicate 29.16
    tributyl phosphate 22.26
    diacetone alcohol 155.33
    N,N-dimethylaniline 58.09
    acrylonitrile 142.03
    aniline 232.21
    1,3-propanediol 178.47
    bromobenzene 137.9
    dibromomethane 123.68
    1,1,2,2-tetrachloroethane 224.14
    2-methyl-cyclohexyl acetate 48.29
    tetrabutyl urea 28.87
    diisobutyl methanol 26.58
    2-phenylethanol 116.26
    styrene 53.24
    dioctyl adipate 33.41
    dimethyl sulfate 87.09
    ethyl butyrate 54.5
    methyl lactate 79.18
    butyl lactate 60.29
    diethyl carbonate 33.99
    propanediol butyl ether 71.25
    triethyl orthoformate 46.37
    p-tert-butyltoluene 25.71
    methyl 4-tert-butylbenzoate 83.2
    morpholine 510.5
    tert-butylamine 82.16
    n-dodecanol 7.41
    dimethoxymethane 475.39
    ethylene carbonate 107.06
    cyrene 76.93
    2-ethoxyethyl acetate 107.45
    2-ethylhexyl acetate 65.3
    1,2,4-trichlorobenzene 114.19
    4-methylpyridine 344.91
    dibutyl ether 17.53
    2,6-dimethyl-4-heptanol 26.58
    DEF 116.6
    dimethyl isosorbide 152.02
    tetrachloroethylene 133.1
    eugenol 87.72
    triacetin 62.91
    span 80 59.66
    1,4-butanediol 26.51
    1,1-dichloroethane 144.16
    2-methyl-1-pentanol 37.66
    methyl formate 83.97
    2-methyl-1-butanol 97.95
    n-decane 0.94
    butyronitrile 141.12
    3,7-dimethyl-1-octanol 24.33
    1-chlorooctane 7.84
    1-chlorotetradecane 2.27
    n-nonane 0.74
    undecane 0.63
    tert-butylcyclohexane 2.5
    cyclooctane 2.12
    cyclopentanol 135.35
    tetrahydropyran 404.83
    tert-amyl methyl ether 48.98
    2,5,8-trioxanonane 114.57
    1-hexene 9.28
    2-isopropoxyethanol 62.18
    2,2,2-trifluoroethanol 28.5
    methyl butyrate 63.66

    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