18-Hydroxysclareol

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  • Identifiers

    CAS number
    86248-66-0

    Molecular formula
    C20H36O3

    SMILES
    C[C@@]1(CCC[C@]2([C@H]1CC[C@]([C@@H]2CCC(C)(C=C)O)(C)O)C)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.07%
    Sweet 56.92%
    Balsamic 51.99%
    Amber 43.39%
    Floral 41.42%
    Sandalwood 40.89%
    Camphoreous 37.43%
    Pine 36.87%
    Dry 36.56%
    Herbal 34.93%

     

    Flavor
    Sweet 70.21%
    Woody 63.2%
    Herbal 42.88%
    Balsam 39.9%
    Floral 37.87%
    Pine 36.0%
    Citrus 32.98%
    Tropical 32.31%
    Minty 31.91%
    Green 31.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.77 (weak base)

    Molecular weight
    324.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    342°C

    Flash point

    • 195.3 ˚C est.

  • Synonyms

    • 18-Hydroxysclareol
    • 86248-66-0
    • RefChem:79379
    • (1R,2S,4aR,5S,8aS)-5-(hydroxymethyl)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
    • DTXSID101006660
    • (1R,2S,4aR,5S,8aS)-5-(Hydroxymethyl)-1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,8a-trimethyldecahydronaphthalen-2-ol
    • 1-Naphthalenepropanol, alpha-ethenyldecahydro-2-hydroxy-5-(hydroxymethyl)-alpha,2,5,8a-tetramethyl-, (1R-(1alpha(R*),2beta,4abeta,5beta,8aalpha))-
    • 5-(Hydroxymethyl)-1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,8a-trimethyldecahydronaphthalen-2-ol
    • 86248-66-0

  • Applications

    18-Hydroxysclareol (CAS 86248-66-0) is a diterpene alcohol used primarily as an intermediate in fragrance chemistry and as a precursor for aroma compounds such as sclareolide. In perfumery it functions as a fragrance ingredient and a potential fixative component; in cosmetics and personal care it is evaluated for inclusion in fragrance formulations; in household products it may be used as a fragrance additive in cleaners and air fresheners; in industrial manufacturing it serves as a synthetic intermediate for aroma compound production. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.16
    methanol 275.99
    isopropanol 86.86
    water 0.99
    ethyl acetate 92.0
    n-propanol 130.25
    acetone 112.73
    n-butanol 93.73
    acetonitrile 43.39
    DMF 494.45
    toluene 58.27
    isobutanol 74.79
    1,4-dioxane 325.22
    methyl acetate 68.69
    THF 856.42
    2-butanone 80.72
    n-pentanol 52.95
    sec-butanol 48.01
    n-hexane 2.78
    ethylene glycol 22.98
    NMP 264.98
    cyclohexane 5.16
    DMSO 270.79
    n-butyl acetate 77.56
    n-octanol 39.25
    chloroform 108.87
    n-propyl acetate 58.09
    acetic acid 115.38
    dichloromethane 88.47
    cyclohexanone 155.37
    propylene glycol 48.4
    isopropyl acetate 84.42
    DMAc 240.37
    2-ethoxyethanol 146.13
    isopentanol 71.23
    n-heptane 3.86
    ethyl formate 60.4
    1,2-dichloroethane 57.0
    n-hexanol 88.07
    2-methoxyethanol 319.0
    isobutyl acetate 52.4
    tetrachloromethane 17.97
    n-pentyl acetate 64.44
    transcutol 528.96
    n-heptanol 53.36
    ethylbenzene 21.94
    MIBK 84.39
    2-propoxyethanol 283.96
    tert-butanol 84.89
    MTBE 64.56
    2-butoxyethanol 140.33
    propionic acid 69.25
    o-xylene 31.06
    formic acid 80.04
    diethyl ether 79.81
    m-xylene 52.92
    p-xylene 26.87
    chlorobenzene 51.65
    dimethyl carbonate 79.32
    n-octane 1.48
    formamide 116.87
    cyclopentanone 253.14
    2-pentanone 95.46
    anisole 76.56
    cyclopentyl methyl ether 191.99
    gamma-butyrolactone 301.4
    1-methoxy-2-propanol 299.03
    pyridine 148.28
    3-pentanone 58.16
    furfural 220.76
    n-dodecane 0.87
    diethylene glycol 184.31
    diisopropyl ether 25.64
    tert-amyl alcohol 51.59
    acetylacetone 147.32
    n-hexadecane 1.06
    acetophenone 70.07
    methyl propionate 97.21
    isopentyl acetate 82.1
    trichloroethylene 131.21
    n-nonanol 36.54
    cyclohexanol 64.11
    benzyl alcohol 66.33
    2-ethylhexanol 42.44
    isooctanol 42.66
    dipropyl ether 58.1
    1,2-dichlorobenzene 46.09
    ethyl lactate 52.16
    propylene carbonate 129.43
    n-methylformamide 186.84
    2-pentanol 44.06
    n-pentane 3.26
    1-propoxy-2-propanol 188.06
    1-methoxy-2-propyl acetate 161.1
    2-(2-methoxypropoxy) propanol 115.61
    mesitylene 31.02
    ε-caprolactone 151.95
    p-cymene 21.15
    epichlorohydrin 290.91
    1,1,1-trichloroethane 45.03
    2-aminoethanol 87.02
    morpholine-4-carbaldehyde 332.78
    sulfolane 298.31
    2,2,4-trimethylpentane 2.65
    2-methyltetrahydrofuran 210.08
    n-hexyl acetate 80.48
    isooctane 3.25
    2-(2-butoxyethoxy)ethanol 186.33
    sec-butyl acetate 45.6
    tert-butyl acetate 109.1
    decalin 3.64
    glycerin 97.01
    diglyme 308.56
    acrylic acid 64.68
    isopropyl myristate 26.51
    n-butyric acid 113.98
    acetyl acetate 74.66
    di(2-ethylhexyl) phthalate 39.5
    ethyl propionate 55.22
    nitromethane 204.39
    1,2-diethoxyethane 111.92
    benzonitrile 59.29
    trioctyl phosphate 29.18
    1-bromopropane 28.54
    gamma-valerolactone 394.13
    n-decanol 23.26
    triethyl phosphate 35.68
    4-methyl-2-pentanol 39.09
    propionitrile 44.68
    vinylene carbonate 120.23
    1,1,2-trichlorotrifluoroethane 174.19
    DMS 69.78
    cumene 17.23
    2-octanol 27.03
    2-hexanone 52.63
    octyl acetate 36.64
    limonene 26.81
    1,2-dimethoxyethane 250.36
    ethyl orthosilicate 37.74
    tributyl phosphate 28.79
    diacetone alcohol 137.26
    N,N-dimethylaniline 55.16
    acrylonitrile 61.28
    aniline 79.04
    1,3-propanediol 126.14
    bromobenzene 44.07
    dibromomethane 46.85
    1,1,2,2-tetrachloroethane 105.93
    2-methyl-cyclohexyl acetate 64.96
    tetrabutyl urea 39.61
    diisobutyl methanol 29.05
    2-phenylethanol 89.95
    styrene 24.65
    dioctyl adipate 45.44
    dimethyl sulfate 125.71
    ethyl butyrate 60.45
    methyl lactate 93.13
    butyl lactate 71.8
    diethyl carbonate 39.51
    propanediol butyl ether 132.76
    triethyl orthoformate 59.82
    p-tert-butyltoluene 22.98
    methyl 4-tert-butylbenzoate 96.28
    morpholine 394.61
    tert-butylamine 40.44
    n-dodecanol 14.52
    dimethoxymethane 405.79
    ethylene carbonate 103.96
    cyrene 120.58
    2-ethoxyethyl acetate 109.8
    2-ethylhexyl acetate 59.81
    1,2,4-trichlorobenzene 63.64
    4-methylpyridine 127.62
    dibutyl ether 28.43
    2,6-dimethyl-4-heptanol 29.05
    DEF 110.79
    dimethyl isosorbide 230.47
    tetrachloroethylene 70.44
    eugenol 92.97
    triacetin 93.37
    span 80 102.5
    1,4-butanediol 36.05
    1,1-dichloroethane 42.79
    2-methyl-1-pentanol 42.85
    methyl formate 131.13
    2-methyl-1-butanol 57.47
    n-decane 2.13
    butyronitrile 52.06
    3,7-dimethyl-1-octanol 37.03
    1-chlorooctane 12.75
    1-chlorotetradecane 3.54
    n-nonane 1.88
    undecane 1.29
    tert-butylcyclohexane 3.76
    cyclooctane 2.75
    cyclopentanol 90.87
    tetrahydropyran 202.21
    tert-amyl methyl ether 47.02
    2,5,8-trioxanonane 192.41
    1-hexene 11.3
    2-isopropoxyethanol 95.76
    2,2,2-trifluoroethanol 47.97
    methyl butyrate 68.65

    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