(4S,4aS,5R,6S,8aR)-3,4a,5-Trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4,6-diol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    34335-94-9

    Molecular formula
    C15H22O3

    SMILES
    C[C@H]1[C@H](CC[C@H]2[C@@]1([C@@H](C3=C(C2)OC=C3C)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 41.02%
    Phenolic 37.39%
    Mint 32.24%
    Woody 31.81%
    Spicy 31.33%
    Odorless 30.12%
    Vanilla 28.45%
    Earthy 27.84%
    Cooling 27.22%
    Musty 25.41%

     

    Flavor
    Bitter 62.02%
    Minty 24.38%
    Earthy 23.73%
    Cedarleaf 22.92%
    Sweet-like 22.85%
    Beet 21.76%
    Soil 21.59%
    Patchouli 21.37%
    Pleasant 21.1%
    Fatty 21.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.02 (weak base)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    650°C

    Flash point

    • 200.14 ˚C est.

  • Synonyms

    • DTXSID201121338
    • (4S,4aS,5R,6S,8aR)-3,4a,5-Trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4,6-diol
    • (4S,4aS,5R,6S,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-4,6-diol
    • 34335-94-9
    • 34335-94-9

  • Applications

    For the compound (4S,4aS,5R,6S,8aR)-3,4a,5-Trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4,6-diol (CAS 34335-94-9), practical applications typically center on: serving as a chiral building block for pharmaceutical or agrochemical synthesis; functioning as an odorant or fragrance fixative in perfumery and cosmetics; acting as a polyol suitable for polymer and plastic formulations, enabling crosslinking or functionalization; being evaluated as a specialty intermediate for chiral industrial syntheses; and potentially used as a cosmetic/personal care additive under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.73
    methanol 185.82
    isopropanol 101.72
    water 1.7
    ethyl acetate 54.36
    n-propanol 95.59
    acetone 96.81
    n-butanol 96.28
    acetonitrile 28.44
    DMF 165.75
    toluene 55.01
    isobutanol 64.96
    1,4-dioxane 290.72
    methyl acetate 52.56
    THF 342.21
    2-butanone 72.32
    n-pentanol 30.2
    sec-butanol 30.15
    n-hexane 0.72
    ethylene glycol 28.84
    NMP 39.87
    cyclohexane 4.71
    DMSO 133.61
    n-butyl acetate 54.11
    n-octanol 22.22
    chloroform 190.48
    n-propyl acetate 37.6
    acetic acid 54.64
    dichloromethane 132.58
    cyclohexanone 118.96
    propylene glycol 18.29
    isopropyl acetate 51.23
    DMAc 86.81
    2-ethoxyethanol 86.5
    isopentanol 76.12
    n-heptane 1.28
    ethyl formate 49.67
    1,2-dichloroethane 81.22
    n-hexanol 55.25
    2-methoxyethanol 223.58
    isobutyl acetate 39.25
    tetrachloromethane 28.78
    n-pentyl acetate 48.22
    transcutol 203.48
    n-heptanol 37.38
    ethylbenzene 21.51
    MIBK 56.37
    2-propoxyethanol 147.07
    tert-butanol 103.11
    MTBE 40.4
    2-butoxyethanol 87.38
    propionic acid 36.28
    o-xylene 31.3
    formic acid 47.59
    diethyl ether 47.0
    m-xylene 41.25
    p-xylene 31.36
    chlorobenzene 56.78
    dimethyl carbonate 37.47
    n-octane 1.25
    formamide 81.93
    cyclopentanone 136.44
    2-pentanone 66.83
    anisole 47.98
    cyclopentyl methyl ether 69.37
    gamma-butyrolactone 115.97
    1-methoxy-2-propanol 143.42
    pyridine 125.24
    3-pentanone 41.43
    furfural 121.45
    n-dodecane 1.29
    diethylene glycol 141.34
    diisopropyl ether 13.86
    tert-amyl alcohol 35.28
    acetylacetone 85.19
    n-hexadecane 1.56
    acetophenone 49.48
    methyl propionate 43.87
    isopentyl acetate 62.34
    trichloroethylene 149.69
    n-nonanol 23.82
    cyclohexanol 52.69
    benzyl alcohol 56.14
    2-ethylhexanol 26.76
    isooctanol 32.16
    dipropyl ether 18.5
    1,2-dichlorobenzene 51.49
    ethyl lactate 26.94
    propylene carbonate 61.39
    n-methylformamide 92.88
    2-pentanol 33.45
    n-pentane 1.35
    1-propoxy-2-propanol 78.77
    1-methoxy-2-propyl acetate 73.6
    2-(2-methoxypropoxy) propanol 57.11
    mesitylene 24.12
    ε-caprolactone 78.48
    p-cymene 18.36
    epichlorohydrin 155.08
    1,1,1-trichloroethane 60.01
    2-aminoethanol 55.42
    morpholine-4-carbaldehyde 121.92
    sulfolane 106.11
    2,2,4-trimethylpentane 1.39
    2-methyltetrahydrofuran 80.8
    n-hexyl acetate 45.69
    isooctane 1.89
    2-(2-butoxyethoxy)ethanol 84.13
    sec-butyl acetate 30.32
    tert-butyl acetate 55.54
    decalin 2.65
    glycerin 49.83
    diglyme 158.8
    acrylic acid 35.18
    isopropyl myristate 20.21
    n-butyric acid 75.24
    acetyl acetate 42.86
    di(2-ethylhexyl) phthalate 28.16
    ethyl propionate 30.73
    nitromethane 93.46
    1,2-diethoxyethane 64.71
    benzonitrile 60.17
    trioctyl phosphate 21.52
    1-bromopropane 28.23
    gamma-valerolactone 192.88
    n-decanol 17.32
    triethyl phosphate 22.13
    4-methyl-2-pentanol 30.7
    propionitrile 42.99
    vinylene carbonate 75.38
    1,1,2-trichlorotrifluoroethane 97.25
    DMS 46.87
    cumene 17.77
    2-octanol 21.09
    2-hexanone 38.02
    octyl acetate 25.04
    limonene 18.67
    1,2-dimethoxyethane 153.19
    ethyl orthosilicate 22.24
    tributyl phosphate 21.74
    diacetone alcohol 70.22
    N,N-dimethylaniline 33.25
    acrylonitrile 61.89
    aniline 72.54
    1,3-propanediol 128.78
    bromobenzene 51.59
    dibromomethane 72.24
    1,1,2,2-tetrachloroethane 114.16
    2-methyl-cyclohexyl acetate 37.31
    tetrabutyl urea 29.81
    diisobutyl methanol 20.36
    2-phenylethanol 70.12
    styrene 22.44
    dioctyl adipate 27.13
    dimethyl sulfate 50.81
    ethyl butyrate 31.91
    methyl lactate 37.51
    butyl lactate 41.55
    diethyl carbonate 23.97
    propanediol butyl ether 53.48
    triethyl orthoformate 28.88
    p-tert-butyltoluene 18.3
    methyl 4-tert-butylbenzoate 53.17
    morpholine 226.98
    tert-butylamine 40.91
    n-dodecanol 12.54
    dimethoxymethane 173.88
    ethylene carbonate 70.75
    cyrene 62.68
    2-ethoxyethyl acetate 73.12
    2-ethylhexyl acetate 44.04
    1,2,4-trichlorobenzene 56.67
    4-methylpyridine 94.71
    dibutyl ether 17.55
    2,6-dimethyl-4-heptanol 20.36
    DEF 49.28
    dimethyl isosorbide 92.63
    tetrachloroethylene 89.82
    eugenol 62.16
    triacetin 44.49
    span 80 46.38
    1,4-butanediol 29.12
    1,1-dichloroethane 64.32
    2-methyl-1-pentanol 30.5
    methyl formate 82.38
    2-methyl-1-butanol 45.91
    n-decane 2.23
    butyronitrile 47.1
    3,7-dimethyl-1-octanol 23.07
    1-chlorooctane 10.77
    1-chlorotetradecane 4.51
    n-nonane 1.69
    undecane 1.65
    tert-butylcyclohexane 2.41
    cyclooctane 1.69
    cyclopentanol 55.76
    tetrahydropyran 149.33
    tert-amyl methyl ether 21.12
    2,5,8-trioxanonane 97.95
    1-hexene 4.32
    2-isopropoxyethanol 60.19
    2,2,2-trifluoroethanol 34.51
    methyl butyrate 41.24

    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