(2S,4aS,5R,6R,8aR)-Decahydro-5-((3R)-3-hydroxy-3-methyl-4-penten-1-yl)-1,1,4a,6-tetramethyl-2,6-naphthalenediol

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  • Identifiers

    CAS number
    132796-57-7

    Molecular formula
    C20H36O3

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 80.72%
    Sweet 64.17%
    Balsamic 53.45%
    Camphoreous 47.03%
    Pine 45.52%
    Herbal 43.97%
    Mint 39.13%
    Amber 38.69%
    Earthy 37.28%
    Dry 34.75%

     

    Flavor
    Sweet 72.26%
    Woody 69.33%
    Herbal 48.58%
    Balsam 44.3%
    Pine 42.93%
    Minty 37.05%
    Floral 35.71%
    Citrus 34.44%
    Tropical 32.92%
    Camphor 30.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.74 (weak base)

    Molecular weight
    324.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    325°C

    Flash point

    • 182.44 ˚C est.

  • Synonyms

    • 3-Hydroxysclareol
    • 132796-57-7
    • RefChem:905906
    • (2S,4aS,5R,6R,8aR)-Decahydro-5-((3R)-3-hydroxy-3-methyl-4-penten-1-yl)-1,1,4a,6-tetramethyl-2,6-naphthalenediol
    • (2s,4as,5r,6r,8ar)-5-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-1,1,4a,6-tetramethyldecahydronaphthalene-2,6-diol
    • DTXSID60927825
    • (1R,2R,4aR,6S,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol
    • 2,6-Naphthalenediol,decahydro-5-[(3R)-3-hydroxy-3-methyl-4-penten-1-yl]-1,1,4a,6-tetramethyl-,(2S,4aS,5R,6R,8aR)-
    • 5-(3-Hydroxy-3-methylpent-4-en-1-yl)-1,1,4a,6-tetramethyldecahydronaphthalene-2,6-diol
    • (2S,4aS,5R,6R,8aR)-5-((R)-3-hydroxy-3-methylpent-4-en-1-yl)-1,1,4a,6-tetramethyldecahydronaphthalene-2,6-diol
    • 132796-57-7

  • Applications

    The compound, (2S,4aS,5R,6R,8aR)-Decahydro-5-((3R)-3-hydroxy-3-methyl-4-penten-1-yl)-1,1,4a,6-tetramethyl-2,6-naphthalenediol (CAS 132796-57-7), is a chiral, polycyclic diol that serves primarily as a versatile building block in pharmaceutical and fine chemical synthesis. In industry, it may be used as a precursor for the preparation of stereoselective drug candidates and natural product analogs; it can also be explored as a fragrance intermediate or odorant component in perfumery and flavor research; in polymer and coating formulations, it may act as a specialty stabilizer or crosslinking modifier in niche formulations; and in research settings, it is pursued as a chiral scaffold for agrochemical development and advanced materials programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 150.1
    methanol 222.8
    isopropanol 71.5
    water 1.14
    ethyl acetate 84.76
    n-propanol 110.87
    acetone 104.6
    n-butanol 76.03
    acetonitrile 39.75
    DMF 513.26
    toluene 52.2
    isobutanol 60.7
    1,4-dioxane 325.64
    methyl acetate 69.04
    THF 821.57
    2-butanone 76.13
    n-pentanol 48.45
    sec-butanol 42.28
    n-hexane 3.35
    ethylene glycol 20.92
    NMP 290.35
    cyclohexane 5.18
    DMSO 253.1
    n-butyl acetate 68.29
    n-octanol 39.79
    chloroform 102.38
    n-propyl acetate 55.09
    acetic acid 103.33
    dichloromethane 82.32
    cyclohexanone 140.52
    propylene glycol 42.1
    isopropyl acetate 76.22
    DMAc 256.63
    2-ethoxyethanol 136.17
    isopentanol 55.91
    n-heptane 4.22
    ethyl formate 53.95
    1,2-dichloroethane 52.12
    n-hexanol 80.83
    2-methoxyethanol 281.48
    isobutyl acetate 47.86
    tetrachloromethane 17.27
    n-pentyl acetate 61.6
    transcutol 466.83
    n-heptanol 52.24
    ethylbenzene 23.04
    MIBK 73.97
    2-propoxyethanol 269.41
    tert-butanol 71.47
    MTBE 60.45
    2-butoxyethanol 135.98
    propionic acid 62.67
    o-xylene 30.23
    formic acid 74.84
    diethyl ether 76.48
    m-xylene 49.25
    p-xylene 29.03
    chlorobenzene 47.41
    dimethyl carbonate 81.24
    n-octane 1.64
    formamide 113.76
    cyclopentanone 240.02
    2-pentanone 84.7
    anisole 79.41
    cyclopentyl methyl ether 186.35
    gamma-butyrolactone 287.66
    1-methoxy-2-propanol 263.63
    pyridine 144.63
    3-pentanone 55.57
    furfural 213.33
    n-dodecane 0.94
    diethylene glycol 167.56
    diisopropyl ether 25.15
    tert-amyl alcohol 46.11
    acetylacetone 140.09
    n-hexadecane 1.14
    acetophenone 70.43
    methyl propionate 93.24
    isopentyl acetate 74.12
    trichloroethylene 119.09
    n-nonanol 36.94
    cyclohexanol 52.19
    benzyl alcohol 63.89
    2-ethylhexanol 40.89
    isooctanol 40.54
    dipropyl ether 58.38
    1,2-dichlorobenzene 44.17
    ethyl lactate 49.56
    propylene carbonate 122.62
    n-methylformamide 184.14
    2-pentanol 38.07
    n-pentane 3.37
    1-propoxy-2-propanol 174.7
    1-methoxy-2-propyl acetate 147.06
    2-(2-methoxypropoxy) propanol 110.66
    mesitylene 28.77
    ε-caprolactone 143.32
    p-cymene 20.88
    epichlorohydrin 283.91
    1,1,1-trichloroethane 41.7
    2-aminoethanol 78.49
    morpholine-4-carbaldehyde 370.62
    sulfolane 293.33
    2,2,4-trimethylpentane 2.78
    2-methyltetrahydrofuran 207.92
    n-hexyl acetate 80.98
    isooctane 3.23
    2-(2-butoxyethoxy)ethanol 176.51
    sec-butyl acetate 42.88
    tert-butyl acetate 100.9
    decalin 3.95
    glycerin 83.96
    diglyme 303.47
    acrylic acid 61.41
    isopropyl myristate 26.62
    n-butyric acid 92.58
    acetyl acetate 69.78
    di(2-ethylhexyl) phthalate 37.89
    ethyl propionate 53.92
    nitromethane 198.05
    1,2-diethoxyethane 106.81
    benzonitrile 55.39
    trioctyl phosphate 28.14
    1-bromopropane 26.08
    gamma-valerolactone 391.46
    n-decanol 23.69
    triethyl phosphate 35.09
    4-methyl-2-pentanol 33.27
    propionitrile 39.51
    vinylene carbonate 112.93
    1,1,2-trichlorotrifluoroethane 164.47
    DMS 70.68
    cumene 17.88
    2-octanol 27.12
    2-hexanone 50.25
    octyl acetate 36.81
    limonene 26.14
    1,2-dimethoxyethane 243.89
    ethyl orthosilicate 36.64
    tributyl phosphate 27.24
    diacetone alcohol 121.94
    N,N-dimethylaniline 58.23
    acrylonitrile 55.57
    aniline 71.49
    1,3-propanediol 102.83
    bromobenzene 40.93
    dibromomethane 43.58
    1,1,2,2-tetrachloroethane 100.09
    2-methyl-cyclohexyl acetate 63.03
    tetrabutyl urea 38.7
    diisobutyl methanol 27.11
    2-phenylethanol 86.01
    styrene 25.15
    dioctyl adipate 44.96
    dimethyl sulfate 131.41
    ethyl butyrate 56.65
    methyl lactate 88.23
    butyl lactate 67.67
    diethyl carbonate 36.99
    propanediol butyl ether 126.71
    triethyl orthoformate 57.78
    p-tert-butyltoluene 22.46
    methyl 4-tert-butylbenzoate 93.97
    morpholine 389.71
    tert-butylamine 36.88
    n-dodecanol 14.74
    dimethoxymethane 387.35
    ethylene carbonate 96.34
    cyrene 120.45
    2-ethoxyethyl acetate 106.91
    2-ethylhexyl acetate 55.64
    1,2,4-trichlorobenzene 60.17
    4-methylpyridine 124.55
    dibutyl ether 29.08
    2,6-dimethyl-4-heptanol 27.11
    DEF 108.79
    dimethyl isosorbide 229.85
    tetrachloroethylene 66.61
    eugenol 91.49
    triacetin 91.09
    span 80 97.57
    1,4-butanediol 31.88
    1,1-dichloroethane 38.59
    2-methyl-1-pentanol 37.89
    methyl formate 130.15
    2-methyl-1-butanol 46.77
    n-decane 2.35
    butyronitrile 44.3
    3,7-dimethyl-1-octanol 35.32
    1-chlorooctane 13.14
    1-chlorotetradecane 3.72
    n-nonane 2.09
    undecane 1.4
    tert-butylcyclohexane 4.07
    cyclooctane 2.85
    cyclopentanol 82.4
    tetrahydropyran 189.91
    tert-amyl methyl ether 45.03
    2,5,8-trioxanonane 186.51
    1-hexene 12.62
    2-isopropoxyethanol 88.27
    2,2,2-trifluoroethanol 44.99
    methyl butyrate 64.43

    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