(-)-Methyl kaur-16-en-19-oate

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  • Identifiers

    CAS number
    41473-15-8

    Molecular formula
    C21H32O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.12%
    Amber 48.54%
    Dry 44.23%
    Cedar 42.14%
    Musk 34.98%
    Green 34.83%
    Fresh 33.26%
    Balsamic 31.96%
    Vetiver 31.73%
    Animal 31.6%

     

    Flavor
    Woody 41.64%
    Sweet 31.98%
    Herbal 30.8%
    Wood 30.49%
    Balsam 29.71%
    Camphor 29.05%
    Fruity 27.97%
    Fruit 27.3%
    Pine 27.29%
    Earthy 26.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    8.12 (weak base)

    Molecular weight
    316.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    402°C

    Flash point

    • 178.24 ˚C est.

  • Synonyms

    • 41473-15-8
    • (-)-methyl kaur-16-en-19-oate
    • RefChem:67886
    • Kaur-16-en-18-oic acid, methyl ester, (4alpha)-
    • CHEMBL2374205
    • DTXSID601307772
    • Methyl 5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate
    • 41473-15-8

  • Applications

    (-)-Methyl kaur-16-en-19-oate (CAS 41473-15-8) is used primarily as a fragrance ingredient in perfumery and cosmetics, contributing woody-resinous notes and sometimes serving as a fixative in formulations; it may also appear as a fragrance additive in household products and coatings. It is commonly employed as an intermediate and chiral building block in natural-product synthesis, enabling the preparation of kaurane diterpenoid derivatives for pharmaceutical research and specialty chemicals. In industrial settings, it may be used as a starting material for the synthesis of functionalized diterpenoid compounds and related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 165.86
    methanol 151.38
    isopropanol 248.6
    water 0.44
    ethyl acetate 226.29
    n-propanol 222.26
    acetone 275.39
    n-butanol 256.22
    acetonitrile 162.72
    DMF 407.93
    toluene 751.6
    isobutanol 171.45
    1,4-dioxane 511.14
    methyl acetate 135.94
    THF 1154.17
    2-butanone 220.63
    n-pentanol 71.56
    sec-butanol 98.34
    n-hexane 2.49
    ethylene glycol 18.33
    NMP 221.36
    cyclohexane 17.49
    DMSO 105.2
    n-butyl acetate 142.15
    n-octanol 26.19
    chloroform 848.59
    n-propyl acetate 99.68
    acetic acid 109.6
    dichloromethane 531.58
    cyclohexanone 418.4
    propylene glycol 32.62
    isopropyl acetate 230.74
    DMAc 195.97
    2-ethoxyethanol 121.49
    isopentanol 217.91
    n-heptane 2.74
    ethyl formate 110.33
    1,2-dichloroethane 289.49
    n-hexanol 105.06
    2-methoxyethanol 342.9
    isobutyl acetate 94.92
    tetrachloromethane 91.78
    n-pentyl acetate 99.87
    transcutol 399.51
    n-heptanol 51.05
    ethylbenzene 110.97
    MIBK 213.38
    2-propoxyethanol 286.02
    tert-butanol 194.26
    MTBE 127.21
    2-butoxyethanol 144.26
    propionic acid 93.49
    o-xylene 202.62
    formic acid 43.23
    diethyl ether 173.15
    m-xylene 357.32
    p-xylene 120.4
    chlorobenzene 404.29
    dimethyl carbonate 123.69
    n-octane 1.09
    formamide 81.24
    cyclopentanone 549.96
    2-pentanone 262.39
    anisole 217.61
    cyclopentyl methyl ether 359.01
    gamma-butyrolactone 456.28
    1-methoxy-2-propanol 357.72
    pyridine 719.32
    3-pentanone 158.7
    furfural 459.79
    n-dodecane 0.93
    diethylene glycol 165.91
    diisopropyl ether 56.58
    tert-amyl alcohol 77.07
    acetylacetone 313.07
    n-hexadecane 1.21
    acetophenone 182.09
    methyl propionate 179.09
    isopentyl acetate 175.73
    trichloroethylene 683.58
    n-nonanol 28.68
    cyclohexanol 188.19
    benzyl alcohol 199.68
    2-ethylhexanol 49.47
    isooctanol 47.37
    dipropyl ether 60.07
    1,2-dichlorobenzene 292.01
    ethyl lactate 63.67
    propylene carbonate 224.96
    n-methylformamide 184.15
    2-pentanol 124.27
    n-pentane 6.88
    1-propoxy-2-propanol 194.88
    1-methoxy-2-propyl acetate 259.06
    2-(2-methoxypropoxy) propanol 105.07
    mesitylene 152.13
    ε-caprolactone 307.21
    p-cymene 54.21
    epichlorohydrin 577.59
    1,1,1-trichloroethane 278.05
    2-aminoethanol 67.46
    morpholine-4-carbaldehyde 363.53
    sulfolane 281.21
    2,2,4-trimethylpentane 4.27
    2-methyltetrahydrofuran 370.87
    n-hexyl acetate 99.2
    isooctane 5.66
    2-(2-butoxyethoxy)ethanol 156.74
    sec-butyl acetate 97.78
    tert-butyl acetate 221.71
    decalin 7.48
    glycerin 67.9
    diglyme 305.88
    acrylic acid 90.78
    isopropyl myristate 39.29
    n-butyric acid 230.0
    acetyl acetate 171.58
    di(2-ethylhexyl) phthalate 59.3
    ethyl propionate 105.08
    nitromethane 187.67
    1,2-diethoxyethane 130.14
    benzonitrile 289.65
    trioctyl phosphate 35.64
    1-bromopropane 154.2
    gamma-valerolactone 734.23
    n-decanol 19.1
    triethyl phosphate 53.66
    4-methyl-2-pentanol 97.4
    propionitrile 230.63
    vinylene carbonate 241.42
    1,1,2-trichlorotrifluoroethane 264.95
    DMS 124.74
    cumene 60.96
    2-octanol 25.6
    2-hexanone 88.05
    octyl acetate 44.98
    limonene 52.25
    1,2-dimethoxyethane 219.75
    ethyl orthosilicate 54.86
    tributyl phosphate 38.3
    diacetone alcohol 208.28
    N,N-dimethylaniline 115.51
    acrylonitrile 282.91
    aniline 475.69
    1,3-propanediol 198.37
    bromobenzene 436.04
    dibromomethane 317.37
    1,1,2,2-tetrachloroethane 488.12
    2-methyl-cyclohexyl acetate 95.01
    tetrabutyl urea 47.47
    diisobutyl methanol 43.39
    2-phenylethanol 221.05
    styrene 147.57
    dioctyl adipate 64.05
    dimethyl sulfate 129.83
    ethyl butyrate 106.0
    methyl lactate 107.38
    butyl lactate 90.05
    diethyl carbonate 72.18
    propanediol butyl ether 90.45
    triethyl orthoformate 84.86
    p-tert-butyltoluene 55.66
    methyl 4-tert-butylbenzoate 149.78
    morpholine 585.89
    tert-butylamine 100.3
    n-dodecanol 12.87
    dimethoxymethane 431.72
    ethylene carbonate 211.31
    cyrene 126.93
    2-ethoxyethyl acetate 174.3
    2-ethylhexyl acetate 118.3
    1,2,4-trichlorobenzene 324.13
    4-methylpyridine 721.75
    dibutyl ether 29.89
    2,6-dimethyl-4-heptanol 43.39
    DEF 178.91
    dimethyl isosorbide 226.5
    tetrachloroethylene 306.16
    eugenol 146.46
    triacetin 119.3
    span 80 89.83
    1,4-butanediol 38.77
    1,1-dichloroethane 304.68
    2-methyl-1-pentanol 66.94
    methyl formate 116.62
    2-methyl-1-butanol 135.74
    n-decane 1.89
    butyronitrile 240.57
    3,7-dimethyl-1-octanol 39.48
    1-chlorooctane 16.74
    1-chlorotetradecane 5.25
    n-nonane 1.46
    undecane 1.28
    tert-butylcyclohexane 6.25
    cyclooctane 5.47
    cyclopentanol 187.42
    tetrahydropyran 508.51
    tert-amyl methyl ether 70.21
    2,5,8-trioxanonane 170.2
    1-hexene 18.0
    2-isopropoxyethanol 88.8
    2,2,2-trifluoroethanol 56.79
    methyl butyrate 123.86

    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