Kauran-18-al, 17-(acetyloxy)-, (4alpha,16alpha)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    41756-46-1

    Molecular formula
    C22H34O3

    SMILES
    CC(=O)OC[C@@H]1C[C@@]23CC[C@@H]4[C@](CCC[C@]4([C@@H]2CC[C@H]1C3)C)(C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.68%
    Floral 52.42%
    Green 47.11%
    Fruity 46.48%
    Fresh 42.23%
    Amber 41.0%
    Dry 35.44%
    Sweet 33.01%
    Balsamic 32.94%
    Aldehydic 30.8%

     

    Flavor
    Sweet 47.02%
    Fruity 44.58%
    Herbal 36.45%
    Fruit 35.84%
    Balsam 33.78%
    Woody 33.3%
    Spicy 31.71%
    Rose 30.74%
    Mint 27.61%
    Pine 27.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    6.76 (neutral)

    Molecular weight
    346.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    439°C

    Flash point

    • 209.95 ˚C est.

  • Synonyms

    • 41756-46-1
    • Kauran-18-al, 17-(acetyloxy)-, (4alpha,16alpha)-
    • DTXSID901294558
    • (4I+/-,16I+/-)-17-(Acetyloxy)kauran-18-al
    • 18-Oxo-5beta,8alpha,9beta,10alpha-kauran-17-yl acetate
    • 41756-46-1

  • Applications

    Kauran-18-al, 17-(acetyloxy)-, (4alpha,16alpha)- (CAS 41756-46-1) is a kaurane-type diterpene derivative that can serve as an intermediate in the synthesis of more complex terpenoid compounds; in perfumery and cosmetics it is evaluated as a fragrance ingredient or aroma precursor; in pharmaceutical research it may serve as a chiral building block or starting material for natural-product-derived analogs; in industrial manufacturing it can be explored as a building block for specialty polymers or coatings derived from terpenoid frameworks; and in materials science it is studied as a renewable, natural-product-derived feedstock for research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.39
    methanol 56.38
    isopropanol 71.69
    water 0.44
    ethyl acetate 182.76
    n-propanol 91.3
    acetone 203.94
    n-butanol 91.19
    acetonitrile 118.52
    DMF 201.93
    toluene 350.53
    isobutanol 59.33
    1,4-dioxane 272.2
    methyl acetate 100.13
    THF 624.76
    2-butanone 143.0
    n-pentanol 32.32
    sec-butanol 30.58
    n-hexane 1.32
    ethylene glycol 9.82
    NMP 142.2
    cyclohexane 10.61
    DMSO 90.93
    n-butyl acetate 81.48
    n-octanol 11.43
    chloroform 641.78
    n-propyl acetate 69.38
    acetic acid 84.65
    dichloromethane 406.89
    cyclohexanone 244.41
    propylene glycol 14.82
    isopropyl acetate 150.2
    DMAc 149.52
    2-ethoxyethanol 73.91
    isopentanol 72.01
    n-heptane 1.13
    ethyl formate 69.45
    1,2-dichloroethane 227.73
    n-hexanol 41.23
    2-methoxyethanol 172.77
    isobutyl acetate 59.52
    tetrachloromethane 52.75
    n-pentyl acetate 49.17
    transcutol 259.68
    n-heptanol 20.93
    ethylbenzene 51.71
    MIBK 112.12
    2-propoxyethanol 148.46
    tert-butanol 53.43
    MTBE 46.22
    2-butoxyethanol 71.29
    propionic acid 62.46
    o-xylene 91.5
    formic acid 32.23
    diethyl ether 102.93
    m-xylene 145.88
    p-xylene 55.92
    chlorobenzene 230.83
    dimethyl carbonate 88.2
    n-octane 0.48
    formamide 59.58
    cyclopentanone 323.63
    2-pentanone 169.81
    anisole 112.46
    cyclopentyl methyl ether 190.77
    gamma-butyrolactone 317.86
    1-methoxy-2-propanol 172.86
    pyridine 367.81
    3-pentanone 110.09
    furfural 286.6
    n-dodecane 0.44
    diethylene glycol 95.28
    diisopropyl ether 24.38
    tert-amyl alcohol 22.95
    acetylacetone 230.88
    n-hexadecane 0.56
    acetophenone 102.97
    methyl propionate 138.88
    isopentyl acetate 84.36
    trichloroethylene 514.19
    n-nonanol 13.56
    cyclohexanol 78.34
    benzyl alcohol 95.72
    2-ethylhexanol 21.3
    isooctanol 18.37
    dipropyl ether 28.37
    1,2-dichlorobenzene 159.83
    ethyl lactate 41.99
    propylene carbonate 156.99
    n-methylformamide 107.69
    2-pentanol 39.31
    n-pentane 2.87
    1-propoxy-2-propanol 93.53
    1-methoxy-2-propyl acetate 164.24
    2-(2-methoxypropoxy) propanol 64.38
    mesitylene 55.8
    ε-caprolactone 199.21
    p-cymene 23.31
    epichlorohydrin 410.99
    1,1,1-trichloroethane 189.76
    2-aminoethanol 34.39
    morpholine-4-carbaldehyde 204.84
    sulfolane 206.97
    2,2,4-trimethylpentane 1.5
    2-methyltetrahydrofuran 194.66
    n-hexyl acetate 49.77
    isooctane 1.79
    2-(2-butoxyethoxy)ethanol 86.4
    sec-butyl acetate 61.54
    tert-butyl acetate 117.96
    decalin 3.51
    glycerin 35.47
    diglyme 175.58
    acrylic acid 59.5
    isopropyl myristate 19.3
    n-butyric acid 140.34
    acetyl acetate 145.41
    di(2-ethylhexyl) phthalate 31.32
    ethyl propionate 73.02
    nitromethane 173.08
    1,2-diethoxyethane 72.26
    benzonitrile 142.31
    trioctyl phosphate 19.38
    1-bromopropane 101.78
    gamma-valerolactone 435.25
    n-decanol 8.97
    triethyl phosphate 33.29
    4-methyl-2-pentanol 30.7
    propionitrile 124.27
    vinylene carbonate 167.46
    1,1,2-trichlorotrifluoroethane 183.01
    DMS 78.28
    cumene 26.53
    2-octanol 9.42
    2-hexanone 55.35
    octyl acetate 23.67
    limonene 23.09
    1,2-dimethoxyethane 125.26
    ethyl orthosilicate 31.34
    tributyl phosphate 22.0
    diacetone alcohol 105.8
    N,N-dimethylaniline 58.88
    acrylonitrile 147.52
    aniline 249.4
    1,3-propanediol 84.57
    bromobenzene 249.04
    dibromomethane 242.86
    1,1,2,2-tetrachloroethane 359.97
    2-methyl-cyclohexyl acetate 53.18
    tetrabutyl urea 27.0
    diisobutyl methanol 15.95
    2-phenylethanol 99.36
    styrene 70.59
    dioctyl adipate 35.3
    dimethyl sulfate 102.71
    ethyl butyrate 63.75
    methyl lactate 68.87
    butyl lactate 48.46
    diethyl carbonate 46.48
    propanediol butyl ether 44.37
    triethyl orthoformate 47.9
    p-tert-butyltoluene 22.02
    methyl 4-tert-butylbenzoate 78.73
    morpholine 300.79
    tert-butylamine 26.89
    n-dodecanol 5.94
    dimethoxymethane 256.63
    ethylene carbonate 150.49
    cyrene 79.73
    2-ethoxyethyl acetate 103.39
    2-ethylhexyl acetate 59.45
    1,2,4-trichlorobenzene 188.09
    4-methylpyridine 368.8
    dibutyl ether 12.87
    2,6-dimethyl-4-heptanol 15.95
    DEF 112.08
    dimethyl isosorbide 131.18
    tetrachloroethylene 209.9
    eugenol 77.67
    triacetin 77.47
    span 80 48.62
    1,4-butanediol 20.98
    1,1-dichloroethane 228.76
    2-methyl-1-pentanol 27.98
    methyl formate 72.64
    2-methyl-1-butanol 47.75
    n-decane 0.88
    butyronitrile 116.05
    3,7-dimethyl-1-octanol 16.54
    1-chlorooctane 7.23
    1-chlorotetradecane 2.43
    n-nonane 0.69
    undecane 0.59
    tert-butylcyclohexane 2.47
    cyclooctane 2.89
    cyclopentanol 78.2
    tetrahydropyran 270.89
    tert-amyl methyl ether 28.77
    2,5,8-trioxanonane 104.71
    1-hexene 8.65
    2-isopropoxyethanol 52.94
    2,2,2-trifluoroethanol 49.84
    methyl butyrate 80.08

    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