(4aR,5S,8aR)-5-[2-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one

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  • Identifiers

    CAS number
    19940-78-4

    Molecular formula
    C30H46O2

    SMILES
    CC1=CC[C@@H]2[C@@]([C@H]1CC[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)(CCC(=O)C2(C)C)C

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  • Odor profile

    Fragrance
    Woody 83.1%
    Amber 51.2%
    Cedar 49.58%
    Dry 46.63%
    Tobacco 38.8%
    Musk 37.56%
    Camphoreous 37.31%
    Vetiver 34.89%
    Sweet 34.45%
    Animal 32.53%

     

    Flavor
    Woody 64.52%
    Camphor 44.5%
    Pine 37.71%
    Herbal 34.65%
    Wood 32.77%
    Fresh 30.41%
    Spicy 29.46%
    Balsam 28.46%
    Dry 27.71%
    Minty 27.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.55 (neutral)

    Molecular weight
    438.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    451°C

    Flash point

    • 201.24 ˚C est.

  • Synonyms

    • DTXSID601099270
    • 19940-78-4
    • (4aR,5S,8aR)-Octahydro-1,1,4a-trimethyl-6-methylene-5-[2-[(1S,4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-6-oxo-1-naphthalenyl]ethyl]-2(1H)-naphthalenone
    • 19940-78-4

  • Applications

    For the compound (4aR,5S,8aR)-5-[2-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one (CAS 19940-78-4), typical applications include its use as an intermediate in fragrance chemistry to build more complex aroma molecules; as an odorant and potential fixative in perfumery; evaluated for cosmetics and personal care formulations as a fragrance ingredient; incorporated into household products as a fragrance component; employed as a synthetic precursor in industrial manufacturing of aroma compounds and related materials; and potentially explored for use in coatings and inks as a scent additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.69
    methanol 11.86
    isopropanol 25.61
    water 0.02
    ethyl acetate 36.4
    n-propanol 40.96
    acetone 30.24
    n-butanol 37.6
    acetonitrile 11.95
    DMF 116.04
    toluene 57.34
    isobutanol 27.6
    1,4-dioxane 87.26
    methyl acetate 26.29
    THF 172.05
    2-butanone 41.84
    n-pentanol 22.78
    sec-butanol 22.96
    n-hexane 2.26
    ethylene glycol 1.89
    NMP 96.14
    cyclohexane 3.17
    DMSO 22.47
    n-butyl acetate 28.9
    n-octanol 7.84
    chloroform 137.76
    n-propyl acetate 22.08
    acetic acid 20.91
    dichloromethane 75.22
    cyclohexanone 65.34
    propylene glycol 5.42
    isopropyl acetate 36.37
    DMAc 99.3
    2-ethoxyethanol 39.52
    isopentanol 28.39
    n-heptane 1.56
    ethyl formate 14.28
    1,2-dichloroethane 41.62
    n-hexanol 26.94
    2-methoxyethanol 52.29
    isobutyl acetate 19.4
    tetrachloromethane 17.65
    n-pentyl acetate 28.82
    transcutol 107.15
    n-heptanol 15.12
    ethylbenzene 18.26
    MIBK 32.29
    2-propoxyethanol 92.4
    tert-butanol 21.22
    MTBE 25.09
    2-butoxyethanol 48.1
    propionic acid 19.86
    o-xylene 25.55
    formic acid 6.49
    diethyl ether 43.86
    m-xylene 36.07
    p-xylene 17.8
    chlorobenzene 43.13
    dimethyl carbonate 26.23
    n-octane 0.46
    formamide 11.18
    cyclopentanone 84.26
    2-pentanone 42.27
    anisole 43.04
    cyclopentyl methyl ether 70.63
    gamma-butyrolactone 77.86
    1-methoxy-2-propanol 69.0
    pyridine 81.73
    3-pentanone 37.04
    furfural 71.87
    n-dodecane 0.21
    diethylene glycol 31.3
    diisopropyl ether 11.62
    tert-amyl alcohol 16.93
    acetylacetone 48.99
    n-hexadecane 0.27
    acetophenone 33.62
    methyl propionate 41.07
    isopentyl acetate 32.49
    trichloroethylene 113.92
    n-nonanol 9.47
    cyclohexanol 25.7
    benzyl alcohol 29.59
    2-ethylhexanol 12.86
    isooctanol 12.16
    dipropyl ether 24.48
    1,2-dichlorobenzene 42.71
    ethyl lactate 14.93
    propylene carbonate 38.22
    n-methylformamide 31.06
    2-pentanol 22.97
    n-pentane 3.03
    1-propoxy-2-propanol 61.72
    1-methoxy-2-propyl acetate 65.16
    2-(2-methoxypropoxy) propanol 33.67
    mesitylene 16.7
    ε-caprolactone 64.19
    p-cymene 9.65
    epichlorohydrin 104.62
    1,1,1-trichloroethane 45.27
    2-aminoethanol 10.4
    morpholine-4-carbaldehyde 124.52
    sulfolane 74.81
    2,2,4-trimethylpentane 1.54
    2-methyltetrahydrofuran 67.74
    n-hexyl acetate 27.52
    isooctane 1.27
    2-(2-butoxyethoxy)ethanol 45.74
    sec-butyl acetate 20.0
    tert-butyl acetate 39.06
    decalin 1.89
    glycerin 9.46
    diglyme 105.96
    acrylic acid 17.46
    isopropyl myristate 8.85
    n-butyric acid 38.03
    acetyl acetate 25.52
    di(2-ethylhexyl) phthalate 14.62
    ethyl propionate 25.58
    nitromethane 39.5
    1,2-diethoxyethane 36.54
    benzonitrile 26.81
    trioctyl phosphate 8.24
    1-bromopropane 31.11
    gamma-valerolactone 154.38
    n-decanol 5.38
    triethyl phosphate 15.09
    4-methyl-2-pentanol 14.71
    propionitrile 23.0
    vinylene carbonate 41.59
    1,1,2-trichlorotrifluoroethane 61.68
    DMS 27.5
    cumene 10.39
    2-octanol 7.37
    2-hexanone 24.54
    octyl acetate 11.21
    limonene 11.29
    1,2-dimethoxyethane 69.35
    ethyl orthosilicate 17.08
    tributyl phosphate 9.29
    diacetone alcohol 38.38
    N,N-dimethylaniline 29.97
    acrylonitrile 23.85
    aniline 47.64
    1,3-propanediol 21.81
    bromobenzene 44.98
    dibromomethane 48.71
    1,1,2,2-tetrachloroethane 86.83
    2-methyl-cyclohexyl acetate 25.41
    tetrabutyl urea 14.01
    diisobutyl methanol 8.79
    2-phenylethanol 38.09
    styrene 19.43
    dioctyl adipate 16.82
    dimethyl sulfate 36.75
    ethyl butyrate 25.44
    methyl lactate 23.25
    butyl lactate 24.93
    diethyl carbonate 15.58
    propanediol butyl ether 26.22
    triethyl orthoformate 26.31
    p-tert-butyltoluene 10.29
    methyl 4-tert-butylbenzoate 44.71
    morpholine 119.44
    tert-butylamine 14.14
    n-dodecanol 3.09
    dimethoxymethane 99.97
    ethylene carbonate 32.73
    cyrene 38.56
    2-ethoxyethyl acetate 50.59
    2-ethylhexyl acetate 25.02
    1,2,4-trichlorobenzene 53.33
    4-methylpyridine 78.17
    dibutyl ether 10.27
    2,6-dimethyl-4-heptanol 8.79
    DEF 53.19
    dimethyl isosorbide 73.61
    tetrachloroethylene 52.89
    eugenol 41.13
    triacetin 36.8
    span 80 27.37
    1,4-butanediol 7.69
    1,1-dichloroethane 43.9
    2-methyl-1-pentanol 17.33
    methyl formate 18.42
    2-methyl-1-butanol 25.68
    n-decane 0.64
    butyronitrile 22.93
    3,7-dimethyl-1-octanol 8.79
    1-chlorooctane 4.63
    1-chlorotetradecane 1.07
    n-nonane 0.55
    undecane 0.34
    tert-butylcyclohexane 1.69
    cyclooctane 1.49
    cyclopentanol 27.15
    tetrahydropyran 78.66
    tert-amyl methyl ether 21.78
    2,5,8-trioxanonane 56.14
    1-hexene 8.98
    2-isopropoxyethanol 30.45
    2,2,2-trifluoroethanol 11.73
    methyl butyrate 27.16

    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