(2S,3S,4aS,8aR)-4a,8a-Dimethyl-5-oxo-3-(propan-2-yl)decahydronaphthalen-2-yl acetate

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  • Identifiers

    CAS number
    2658-82-4

    Molecular formula
    C17H28O3

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 73.09%
    Woody 70.02%
    Mint 64.8%
    Camphoreous 55.05%
    Fruity 51.45%
    Fresh 47.91%
    Cooling 46.7%
    Pine 44.73%
    Spicy 40.82%
    Balsamic 35.69%

     

    Flavor
    Herbal 55.52%
    Minty 53.27%
    Woody 47.18%
    Sweet 40.61%
    Camphor 39.06%
    Mint 35.55%
    Fruity 35.11%
    Bitter 30.55%
    Pine 29.53%
    Tropical 27.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.69 (neutral)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 147.74 ˚C est.

  • Synonyms

    • DTXSID101117520
    • (2S,3S,4aS,8aR)-4a,8a-Dimethyl-5-oxo-3-(propan-2-yl)decahydronaphthalen-2-yl acetate
    • 2658-82-4
    • rel-(4aR,6S,7S,8aS)-6-(Acetyloxy)octahydro-4a,8a-dimethyl-7-(1-methylethyl)-1(2H)-naphthalenone
    • 2658-82-4

  • Applications

    (2S,3S,4aS,8aR)-4a,8a-Dimethyl-5-oxo-3-(propan-2-yl)decahydronaphthalen-2-yl acetate (CAS 2658-82-4) is primarily used as an organic synthesis intermediate, notably for steroid-like or bicyclic terpenoid derivatives, supporting pharmaceutical research and development. It serves as a chiral building block for asymmetric synthesis in drug discovery workflows. The compound may also function as a fragrance intermediate or cosmetic aroma precursor, subject to regulatory and formulation limits. In industrial manufacturing, it provides a versatile scaffold for multi-step syntheses of complex molecules, enabling access to rigid, hydrophobic frameworks in specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.93
    methanol 314.7
    isopropanol 250.31
    water 2.69
    ethyl acetate 231.87
    n-propanol 220.35
    acetone 366.96
    n-butanol 182.72
    acetonitrile 247.15
    DMF 781.73
    toluene 498.08
    isobutanol 174.62
    1,4-dioxane 999.96
    methyl acetate 255.36
    THF 1283.24
    2-butanone 315.57
    n-pentanol 120.15
    sec-butanol 161.67
    n-hexane 6.84
    ethylene glycol 41.33
    NMP 610.63
    cyclohexane 36.34
    DMSO 338.63
    n-butyl acetate 173.22
    n-octanol 78.36
    chloroform 1303.41
    n-propyl acetate 147.53
    acetic acid 232.94
    dichloromethane 872.43
    cyclohexanone 627.61
    propylene glycol 91.43
    isopropyl acetate 175.36
    DMAc 449.46
    2-ethoxyethanol 174.79
    isopentanol 159.93
    n-heptane 5.78
    ethyl formate 177.32
    1,2-dichloroethane 440.14
    n-hexanol 168.48
    2-methoxyethanol 347.9
    isobutyl acetate 123.38
    tetrachloromethane 133.46
    n-pentyl acetate 144.91
    transcutol 579.31
    n-heptanol 87.16
    ethylbenzene 168.78
    MIBK 168.55
    2-propoxyethanol 337.48
    tert-butanol 263.43
    MTBE 150.82
    2-butoxyethanol 178.73
    propionic acid 190.43
    o-xylene 243.17
    formic acid 109.85
    diethyl ether 149.3
    m-xylene 286.25
    p-xylene 254.28
    chlorobenzene 475.99
    dimethyl carbonate 135.51
    n-octane 3.71
    formamide 190.04
    cyclopentanone 749.01
    2-pentanone 218.5
    anisole 273.06
    cyclopentyl methyl ether 347.44
    gamma-butyrolactone 750.69
    1-methoxy-2-propanol 317.42
    pyridine 758.42
    3-pentanone 176.46
    furfural 639.09
    n-dodecane 4.1
    diethylene glycol 244.52
    diisopropyl ether 53.57
    tert-amyl alcohol 148.66
    acetylacetone 315.32
    n-hexadecane 5.07
    acetophenone 259.39
    methyl propionate 205.38
    isopentyl acetate 182.74
    trichloroethylene 1009.81
    n-nonanol 74.17
    cyclohexanol 255.03
    benzyl alcohol 252.77
    2-ethylhexanol 87.28
    isooctanol 74.59
    dipropyl ether 75.64
    1,2-dichlorobenzene 369.09
    ethyl lactate 92.72
    propylene carbonate 372.91
    n-methylformamide 292.03
    2-pentanol 112.45
    n-pentane 8.21
    1-propoxy-2-propanol 226.48
    1-methoxy-2-propyl acetate 232.44
    2-(2-methoxypropoxy) propanol 172.64
    mesitylene 146.8
    ε-caprolactone 477.62
    p-cymene 76.29
    epichlorohydrin 727.92
    1,1,1-trichloroethane 448.11
    2-aminoethanol 108.83
    morpholine-4-carbaldehyde 689.66
    sulfolane 627.4
    2,2,4-trimethylpentane 8.3
    2-methyltetrahydrofuran 555.13
    n-hexyl acetate 190.67
    isooctane 7.01
    2-(2-butoxyethoxy)ethanol 234.33
    sec-butyl acetate 114.34
    tert-butyl acetate 186.59
    decalin 20.38
    glycerin 127.6
    diglyme 416.36
    acrylic acid 188.48
    isopropyl myristate 72.64
    n-butyric acid 240.79
    acetyl acetate 215.65
    di(2-ethylhexyl) phthalate 101.3
    ethyl propionate 127.27
    nitromethane 444.61
    1,2-diethoxyethane 194.46
    benzonitrile 368.1
    trioctyl phosphate 63.5
    1-bromopropane 201.93
    gamma-valerolactone 944.08
    n-decanol 53.11
    triethyl phosphate 79.04
    4-methyl-2-pentanol 85.13
    propionitrile 225.73
    vinylene carbonate 413.84
    1,1,2-trichlorotrifluoroethane 397.6
    DMS 208.68
    cumene 96.21
    2-octanol 63.31
    2-hexanone 156.83
    octyl acetate 93.68
    limonene 90.17
    1,2-dimethoxyethane 381.76
    ethyl orthosilicate 74.31
    tributyl phosphate 75.33
    diacetone alcohol 218.7
    N,N-dimethylaniline 169.0
    acrylonitrile 303.38
    aniline 432.26
    1,3-propanediol 178.69
    bromobenzene 505.76
    dibromomethane 493.7
    1,1,2,2-tetrachloroethane 785.84
    2-methyl-cyclohexyl acetate 140.12
    tetrabutyl urea 97.18
    diisobutyl methanol 55.88
    2-phenylethanol 258.56
    styrene 204.07
    dioctyl adipate 109.23
    dimethyl sulfate 213.66
    ethyl butyrate 125.24
    methyl lactate 144.86
    butyl lactate 129.69
    diethyl carbonate 98.01
    propanediol butyl ether 169.82
    triethyl orthoformate 100.99
    p-tert-butyltoluene 76.73
    methyl 4-tert-butylbenzoate 199.88
    morpholine 925.55
    tert-butylamine 138.88
    n-dodecanol 39.25
    dimethoxymethane 405.96
    ethylene carbonate 339.86
    cyrene 230.27
    2-ethoxyethyl acetate 214.23
    2-ethylhexyl acetate 143.14
    1,2,4-trichlorobenzene 431.67
    4-methylpyridine 762.2
    dibutyl ether 73.63
    2,6-dimethyl-4-heptanol 55.88
    DEF 228.92
    dimethyl isosorbide 352.34
    tetrachloroethylene 462.16
    eugenol 199.44
    triacetin 203.71
    span 80 171.1
    1,4-butanediol 69.4
    1,1-dichloroethane 476.7
    2-methyl-1-pentanol 113.66
    methyl formate 247.77
    2-methyl-1-butanol 135.04
    n-decane 7.1
    butyronitrile 227.53
    3,7-dimethyl-1-octanol 82.12
    1-chlorooctane 45.69
    1-chlorotetradecane 18.44
    n-nonane 5.6
    undecane 5.22
    tert-butylcyclohexane 15.54
    cyclooctane 9.55
    cyclopentanol 319.42
    tetrahydropyran 703.83
    tert-amyl methyl ether 101.19
    2,5,8-trioxanonane 273.93
    1-hexene 43.26
    2-isopropoxyethanol 136.3
    2,2,2-trifluoroethanol 110.72
    methyl butyrate 163.8

    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