(3R,3aS,5aR,6R,9S,9aS,9bS)-6-Hydroxy-3,5a,9-trimethyloctahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

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  • Identifiers

    CAS number
    38412-44-1

    Molecular formula
    C15H22O4

    SMILES
    C[C@@H]1[C@@H]2CC[C@]3([C@@H](CC(=O)[C@H]([C@@H]3[C@H]2OC1=O)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 44.89%
    Spicy 36.97%
    Sweet 36.3%
    Odorless 35.69%
    Burnt 26.98%
    Caramellic 25.82%
    Nutty 25.15%
    Phenolic 24.84%
    Mint 24.41%
    Tobacco 23.68%

     

    Flavor
    Bitter 85.02%
    Cedarleaf 22.57%
    Sweet-like 21.76%
    Fenugreek 20.79%
    Minty 20.74%
    Lovage 20.12%
    Leaves 20.06%
    Ripe apricot 19.92%
    Red fruit 19.75%
    Cotton candy 19.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.63 (neutral)

    Molecular weight
    266.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    542°C

    Flash point

    • 195.98 ˚C est.

  • Synonyms

    • DTXSID201114624
    • NS00094004
    • (3R,3aS,5aR,6R,9S,9aS,9bS)-6-Hydroxy-3,5a,9-trimethyloctahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • (3R,3aS,5aR,6R,9S,9aS,9bS)-Octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • 38412-44-1
    • 38412-44-1

  • Applications

    The compound with chemical name (3R,3aS,5aR,6R,9S,9aS,9bS)-6-Hydroxy-3,5a,9-trimethyloctahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione and CAS 38412-44-1 is commonly used as a chiral building block and synthetic intermediate in organic synthesis, with primary relevance to pharmaceutical and fine chemical manufacture; it may be evaluated as a scaffold for fragrance chemistry and could be employed in cosmetic formulations as an intermediate or functional component; in research and development contexts it serves as a precursor for polymer or advanced material studies and other industrial applications depending on formulation limits and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.92
    methanol 141.55
    isopropanol 68.56
    water 6.36
    ethyl acetate 69.19
    n-propanol 51.0
    acetone 125.39
    n-butanol 50.21
    acetonitrile 52.0
    DMF 249.46
    toluene 53.68
    isobutanol 39.16
    1,4-dioxane 218.71
    methyl acetate 80.77
    THF 277.9
    2-butanone 92.48
    n-pentanol 21.84
    sec-butanol 24.9
    n-hexane 0.35
    ethylene glycol 36.06
    NMP 124.96
    cyclohexane 2.27
    DMSO 233.73
    n-butyl acetate 54.85
    n-octanol 14.58
    chloroform 267.49
    n-propyl acetate 45.29
    acetic acid 125.32
    dichloromethane 184.93
    cyclohexanone 147.57
    propylene glycol 20.69
    isopropyl acetate 61.36
    DMAc 160.68
    2-ethoxyethanol 79.98
    isopentanol 50.45
    n-heptane 0.41
    ethyl formate 74.42
    1,2-dichloroethane 97.52
    n-hexanol 33.26
    2-methoxyethanol 171.33
    isobutyl acetate 36.47
    tetrachloromethane 30.68
    n-pentyl acetate 37.8
    transcutol 190.14
    n-heptanol 21.39
    ethylbenzene 20.28
    MIBK 57.1
    2-propoxyethanol 122.99
    tert-butanol 70.42
    MTBE 18.52
    2-butoxyethanol 71.39
    propionic acid 62.43
    o-xylene 32.27
    formic acid 125.88
    diethyl ether 24.13
    m-xylene 38.17
    p-xylene 34.4
    chlorobenzene 75.41
    dimethyl carbonate 61.59
    n-octane 0.39
    formamide 181.93
    cyclopentanone 201.18
    2-pentanone 71.23
    anisole 51.51
    cyclopentyl methyl ether 55.1
    gamma-butyrolactone 234.05
    1-methoxy-2-propanol 118.31
    pyridine 162.51
    3-pentanone 50.52
    furfural 232.13
    n-dodecane 0.56
    diethylene glycol 142.38
    diisopropyl ether 9.07
    tert-amyl alcohol 26.06
    acetylacetone 129.27
    n-hexadecane 0.7
    acetophenone 69.42
    methyl propionate 62.01
    isopentyl acetate 56.83
    trichloroethylene 240.11
    n-nonanol 15.22
    cyclohexanol 44.17
    benzyl alcohol 68.47
    2-ethylhexanol 16.6
    isooctanol 18.81
    dipropyl ether 9.79
    1,2-dichlorobenzene 69.01
    ethyl lactate 39.11
    propylene carbonate 120.98
    n-methylformamide 149.51
    2-pentanol 22.49
    n-pentane 0.58
    1-propoxy-2-propanol 63.88
    1-methoxy-2-propyl acetate 80.74
    2-(2-methoxypropoxy) propanol 59.62
    mesitylene 21.47
    ε-caprolactone 111.25
    p-cymene 14.46
    epichlorohydrin 215.21
    1,1,1-trichloroethane 83.21
    2-aminoethanol 48.2
    morpholine-4-carbaldehyde 201.35
    sulfolane 215.9
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 79.09
    n-hexyl acetate 39.83
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 76.08
    sec-butyl acetate 33.84
    tert-butyl acetate 58.68
    decalin 1.66
    glycerin 68.42
    diglyme 159.46
    acrylic acid 73.01
    isopropyl myristate 17.54
    n-butyric acid 95.24
    acetyl acetate 81.9
    di(2-ethylhexyl) phthalate 30.73
    ethyl propionate 38.68
    nitromethane 207.9
    1,2-diethoxyethane 41.77
    benzonitrile 88.57
    trioctyl phosphate 21.1
    1-bromopropane 25.15
    gamma-valerolactone 264.07
    n-decanol 10.85
    triethyl phosphate 26.34
    4-methyl-2-pentanol 20.91
    propionitrile 48.72
    vinylene carbonate 143.08
    1,1,2-trichlorotrifluoroethane 162.33
    DMS 63.9
    cumene 14.75
    2-octanol 12.05
    2-hexanone 39.11
    octyl acetate 22.17
    limonene 13.43
    1,2-dimethoxyethane 133.13
    ethyl orthosilicate 23.58
    tributyl phosphate 23.5
    diacetone alcohol 76.32
    N,N-dimethylaniline 33.62
    acrylonitrile 90.46
    aniline 76.74
    1,3-propanediol 98.62
    bromobenzene 66.0
    dibromomethane 90.45
    1,1,2,2-tetrachloroethane 169.05
    2-methyl-cyclohexyl acetate 38.38
    tetrabutyl urea 29.86
    diisobutyl methanol 12.83
    2-phenylethanol 68.31
    styrene 22.62
    dioctyl adipate 29.24
    dimethyl sulfate 109.34
    ethyl butyrate 35.5
    methyl lactate 61.34
    butyl lactate 42.61
    diethyl carbonate 31.48
    propanediol butyl ether 51.29
    triethyl orthoformate 28.65
    p-tert-butyltoluene 13.84
    methyl 4-tert-butylbenzoate 57.88
    morpholine 167.89
    tert-butylamine 22.39
    n-dodecanol 7.75
    dimethoxymethane 150.37
    ethylene carbonate 119.23
    cyrene 79.88
    2-ethoxyethyl acetate 69.51
    2-ethylhexyl acetate 39.85
    1,2,4-trichlorobenzene 81.26
    4-methylpyridine 135.03
    dibutyl ether 10.31
    2,6-dimethyl-4-heptanol 12.83
    DEF 63.11
    dimethyl isosorbide 107.04
    tetrachloroethylene 121.77
    eugenol 65.92
    triacetin 59.07
    span 80 46.32
    1,4-butanediol 30.08
    1,1-dichloroethane 85.42
    2-methyl-1-pentanol 23.0
    methyl formate 139.56
    2-methyl-1-butanol 30.13
    n-decane 0.92
    butyronitrile 47.15
    3,7-dimethyl-1-octanol 16.22
    1-chlorooctane 5.98
    1-chlorotetradecane 2.54
    n-nonane 0.64
    undecane 0.69
    tert-butylcyclohexane 1.24
    cyclooctane 0.86
    cyclopentanol 57.52
    tetrahydropyran 97.65
    tert-amyl methyl ether 12.61
    2,5,8-trioxanonane 99.55
    1-hexene 2.2
    2-isopropoxyethanol 56.65
    2,2,2-trifluoroethanol 95.05
    methyl butyrate 52.3

    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