ent-Kaur-16-en-19-ol acetate

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  • Identifiers

    CAS number
    41756-45-0

    Molecular formula
    C22H34O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.56%
    Amber 50.99%
    Dry 45.81%
    Cedar 43.94%
    Green 36.28%
    Musk 36.28%
    Vetiver 33.83%
    Sweet 33.39%
    Floral 32.96%
    Sandalwood 32.6%

     

    Flavor
    Sweet 48.03%
    Woody 44.64%
    Wood 33.51%
    Dry 32.89%
    Herbal 31.99%
    Pine 31.29%
    Camphor 30.93%
    Balsam 30.58%
    Spicy 29.87%
    Fruity 29.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    8.31 (weak base)

    Molecular weight
    330.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    418°C

    Flash point

    • 192.23 ˚C est.

  • Synonyms

    • ent-Kaur-16-en-19-ol acetate
    • DTXSID001309394
    • 5beta,8alpha,9beta,10alpha-Kaur-16-en-18-yl acetate
    • 41756-45-0
    • 41756-45-0

  • Applications

    ent-Kaur-16-en-19-ol acetate, CAS 41756-45-0, is a diterpene of the ent-kaurane class that is primarily used as a fragrance ingredient in perfumery, imparting woody and green notes; it is also used as an aroma component in cosmetics and personal care formulations; in the coatings and inks sector it can serve as an odorant additive; in industrial manufacturing it may be employed as an intermediate for the synthesis of other diterpene derivatives for chemical or pharmaceutical research; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 188.94
    methanol 112.21
    isopropanol 265.82
    water 0.44
    ethyl acetate 343.15
    n-propanol 254.79
    acetone 343.33
    n-butanol 288.89
    acetonitrile 191.19
    DMF 397.82
    toluene 826.32
    isobutanol 204.87
    1,4-dioxane 549.62
    methyl acetate 189.5
    THF 1280.15
    2-butanone 286.34
    n-pentanol 88.4
    sec-butanol 129.41
    n-hexane 4.64
    ethylene glycol 16.18
    NMP 249.14
    cyclohexane 30.34
    DMSO 124.86
    n-butyl acetate 184.38
    n-octanol 33.17
    chloroform 1114.24
    n-propyl acetate 135.08
    acetic acid 120.65
    dichloromethane 659.82
    cyclohexanone 481.92
    propylene glycol 34.92
    isopropyl acetate 334.87
    DMAc 280.85
    2-ethoxyethanol 140.6
    isopentanol 238.68
    n-heptane 3.95
    ethyl formate 126.44
    1,2-dichloroethane 386.13
    n-hexanol 122.06
    2-methoxyethanol 347.68
    isobutyl acetate 128.94
    tetrachloromethane 102.63
    n-pentyl acetate 117.73
    transcutol 606.04
    n-heptanol 54.82
    ethylbenzene 126.73
    MIBK 257.98
    2-propoxyethanol 321.33
    tert-butanol 198.36
    MTBE 189.52
    2-butoxyethanol 154.33
    propionic acid 109.61
    o-xylene 217.95
    formic acid 38.55
    diethyl ether 293.21
    m-xylene 382.82
    p-xylene 134.56
    chlorobenzene 436.29
    dimethyl carbonate 156.64
    n-octane 1.35
    formamide 71.98
    cyclopentanone 582.91
    2-pentanone 355.24
    anisole 247.84
    cyclopentyl methyl ether 477.55
    gamma-butyrolactone 502.96
    1-methoxy-2-propanol 395.41
    pyridine 705.59
    3-pentanone 222.15
    furfural 457.02
    n-dodecane 1.15
    diethylene glycol 170.45
    diisopropyl ether 83.1
    tert-amyl alcohol 90.32
    acetylacetone 395.68
    n-hexadecane 1.48
    acetophenone 197.16
    methyl propionate 254.17
    isopentyl acetate 206.78
    trichloroethylene 829.66
    n-nonanol 36.64
    cyclohexanol 224.57
    benzyl alcohol 191.23
    2-ethylhexanol 59.0
    isooctanol 50.15
    dipropyl ether 86.01
    1,2-dichlorobenzene 312.47
    ethyl lactate 76.11
    propylene carbonate 264.35
    n-methylformamide 160.95
    2-pentanol 154.17
    n-pentane 12.27
    1-propoxy-2-propanol 224.73
    1-methoxy-2-propyl acetate 335.32
    2-(2-methoxypropoxy) propanol 131.9
    mesitylene 151.75
    ε-caprolactone 387.94
    p-cymene 57.94
    epichlorohydrin 704.42
    1,1,1-trichloroethane 351.7
    2-aminoethanol 66.27
    morpholine-4-carbaldehyde 399.62
    sulfolane 299.17
    2,2,4-trimethylpentane 5.72
    2-methyltetrahydrofuran 502.7
    n-hexyl acetate 126.29
    isooctane 6.87
    2-(2-butoxyethoxy)ethanol 189.22
    sec-butyl acetate 134.91
    tert-butyl acetate 285.61
    decalin 9.45
    glycerin 65.14
    diglyme 368.59
    acrylic acid 89.76
    isopropyl myristate 48.74
    n-butyric acid 268.96
    acetyl acetate 235.41
    di(2-ethylhexyl) phthalate 65.07
    ethyl propionate 143.98
    nitromethane 215.12
    1,2-diethoxyethane 191.36
    benzonitrile 275.22
    trioctyl phosphate 39.82
    1-bromopropane 249.15
    gamma-valerolactone 768.77
    n-decanol 24.18
    triethyl phosphate 61.41
    4-methyl-2-pentanol 108.6
    propionitrile 250.41
    vinylene carbonate 270.25
    1,1,2-trichlorotrifluoroethane 297.2
    DMS 149.94
    cumene 66.79
    2-octanol 28.33
    2-hexanone 112.27
    octyl acetate 55.7
    limonene 60.32
    1,2-dimethoxyethane 264.41
    ethyl orthosilicate 62.69
    tributyl phosphate 47.3
    diacetone alcohol 236.66
    N,N-dimethylaniline 133.81
    acrylonitrile 257.62
    aniline 499.1
    1,3-propanediol 177.49
    bromobenzene 491.59
    dibromomethane 423.93
    1,1,2,2-tetrachloroethane 657.78
    2-methyl-cyclohexyl acetate 108.79
    tetrabutyl urea 55.97
    diisobutyl methanol 45.12
    2-phenylethanol 204.3
    styrene 166.85
    dioctyl adipate 75.0
    dimethyl sulfate 153.74
    ethyl butyrate 130.69
    methyl lactate 128.46
    butyl lactate 101.83
    diethyl carbonate 87.27
    propanediol butyl ether 108.35
    triethyl orthoformate 104.43
    p-tert-butyltoluene 56.57
    methyl 4-tert-butylbenzoate 154.85
    morpholine 684.44
    tert-butylamine 113.94
    n-dodecanol 16.01
    dimethoxymethane 543.88
    ethylene carbonate 245.46
    cyrene 132.46
    2-ethoxyethyl acetate 218.79
    2-ethylhexyl acetate 147.59
    1,2,4-trichlorobenzene 349.52
    4-methylpyridine 740.07
    dibutyl ether 42.6
    2,6-dimethyl-4-heptanol 45.12
    DEF 240.46
    dimethyl isosorbide 257.27
    tetrachloroethylene 355.9
    eugenol 149.77
    triacetin 153.92
    span 80 106.43
    1,4-butanediol 40.22
    1,1-dichloroethane 433.89
    2-methyl-1-pentanol 81.99
    methyl formate 112.28
    2-methyl-1-butanol 166.94
    n-decane 2.47
    butyronitrile 265.79
    3,7-dimethyl-1-octanol 50.18
    1-chlorooctane 22.08
    1-chlorotetradecane 6.45
    n-nonane 1.94
    undecane 1.61
    tert-butylcyclohexane 7.53
    cyclooctane 8.73
    cyclopentanol 199.81
    tetrahydropyran 703.11
    tert-amyl methyl ether 104.48
    2,5,8-trioxanonane 207.4
    1-hexene 30.18
    2-isopropoxyethanol 110.93
    2,2,2-trifluoroethanol 63.54
    methyl butyrate 158.5

    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