(4S,4aR,6R,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone

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  • Identifiers

    CAS number
    35943-99-8

    Molecular formula
    C15H24O

    SMILES
    C[C@H]1CCC(=O)[C@H]2[C@@]1(C[C@@H](CC2)C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.78%
    Spicy 45.37%
    Fresh 43.43%
    Herbal 42.57%
    Citrus 41.6%
    Dry 39.64%
    Cedar 39.27%
    Camphoreous 37.73%
    Mint 36.89%
    Amber 35.32%

     

    Flavor
    Herbal 52.36%
    Minty 47.5%
    Woody 40.68%
    Fresh 38.67%
    Spice 35.47%
    Herb 35.28%
    Mint 31.01%
    Camphor 29.7%
    Green 25.94%
    Wood 24.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.86 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 112.87 ˚C est.

  • Synonyms

    • (4S,4aR,6R,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone
    • (4S,4aR,6R,8aR)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
    • 35943-99-8
    • RefChem:69546
    • Eremofukinone
    • CHEBI:195966
    • DTXSID001136626
    • (4S,4aR,6R,8aR)-4,4a-Dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one
    • 35943-99-8

  • Applications

    Applied primarily in fragrance chemistry, this bicyclic ketone is evaluated as a fragrance ingredient and potential fixative, contributing specific notes to perfumery formulations. It may be used as an intermediate in the synthesis of other aroma compounds and as a building block in organic synthesis. In cosmetics and personal care, it can serve as a fragrance component within appropriate formulations and regulatory limits. In household products such as cleaners and air fresheners, it may function as a fragrance additive. In industrial manufacturing and coatings/inks, it is explored as a scent modifier or specialty aroma ingredient. It is also of interest as a chemical intermediate for polymer/plastics applications where odor-active components may be desired, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1211.83
    methanol 1229.95
    isopropanol 1513.58
    water 1.3
    ethyl acetate 1951.84
    n-propanol 1292.7
    acetone 2133.18
    n-butanol 1126.86
    acetonitrile 2026.17
    DMF 2117.68
    toluene 2255.24
    isobutanol 922.65
    1,4-dioxane 4467.06
    methyl acetate 1671.24
    THF 4763.54
    2-butanone 1962.86
    n-pentanol 405.61
    sec-butanol 751.16
    n-hexane 72.93
    ethylene glycol 113.96
    NMP 883.28
    cyclohexane 309.46
    DMSO 1041.49
    n-butyl acetate 1267.98
    n-octanol 255.96
    chloroform 5340.89
    n-propyl acetate 823.08
    acetic acid 596.58
    dichloromethane 3749.24
    cyclohexanone 2569.24
    propylene glycol 191.14
    isopropyl acetate 1303.81
    DMAc 1039.7
    2-ethoxyethanol 641.19
    isopentanol 1015.29
    n-heptane 49.08
    ethyl formate 1097.46
    1,2-dichloroethane 2329.51
    n-hexanol 790.26
    2-methoxyethanol 1460.55
    isobutyl acetate 558.46
    tetrachloromethane 781.09
    n-pentyl acetate 651.49
    transcutol 3516.24
    n-heptanol 310.33
    ethylbenzene 677.0
    MIBK 943.88
    2-propoxyethanol 1350.22
    tert-butanol 1437.19
    MTBE 1691.56
    2-butoxyethanol 638.98
    propionic acid 711.9
    o-xylene 914.91
    formic acid 191.55
    diethyl ether 1858.77
    m-xylene 1154.67
    p-xylene 854.23
    chlorobenzene 1914.49
    dimethyl carbonate 564.84
    n-octane 19.72
    formamide 423.4
    cyclopentanone 2626.66
    2-pentanone 1527.63
    anisole 1230.54
    cyclopentyl methyl ether 1513.23
    gamma-butyrolactone 2469.9
    1-methoxy-2-propanol 1275.55
    pyridine 3200.02
    3-pentanone 1071.19
    furfural 2111.05
    n-dodecane 13.12
    diethylene glycol 689.11
    diisopropyl ether 505.97
    tert-amyl alcohol 759.01
    acetylacetone 1568.65
    n-hexadecane 16.78
    acetophenone 870.57
    methyl propionate 1185.54
    isopentyl acetate 1154.21
    trichloroethylene 4313.3
    n-nonanol 222.31
    cyclohexanol 1030.34
    benzyl alcohol 769.59
    2-ethylhexanol 388.3
    isooctanol 272.92
    dipropyl ether 587.94
    1,2-dichlorobenzene 1381.49
    ethyl lactate 288.88
    propylene carbonate 1242.35
    n-methylformamide 1145.84
    2-pentanol 690.58
    n-pentane 111.26
    1-propoxy-2-propanol 961.69
    1-methoxy-2-propyl acetate 1190.49
    2-(2-methoxypropoxy) propanol 536.53
    mesitylene 646.86
    ε-caprolactone 1890.51
    p-cymene 306.69
    epichlorohydrin 3219.98
    1,1,1-trichloroethane 2535.66
    2-aminoethanol 341.03
    morpholine-4-carbaldehyde 1736.27
    sulfolane 1428.87
    2,2,4-trimethylpentane 53.36
    2-methyltetrahydrofuran 2444.42
    n-hexyl acetate 815.46
    isooctane 64.09
    2-(2-butoxyethoxy)ethanol 848.05
    sec-butyl acetate 624.06
    tert-butyl acetate 1181.41
    decalin 98.07
    glycerin 262.51
    diglyme 1909.47
    acrylic acid 503.9
    isopropyl myristate 259.21
    n-butyric acid 1256.81
    acetyl acetate 994.96
    di(2-ethylhexyl) phthalate 245.0
    ethyl propionate 714.85
    nitromethane 1581.22
    1,2-diethoxyethane 1386.77
    benzonitrile 1489.41
    trioctyl phosphate 159.79
    1-bromopropane 1390.83
    gamma-valerolactone 3084.23
    n-decanol 145.17
    triethyl phosphate 257.96
    4-methyl-2-pentanol 443.62
    propionitrile 1897.11
    vinylene carbonate 1322.29
    1,1,2-trichlorotrifluoroethane 1130.12
    DMS 767.63
    cumene 380.53
    2-octanol 197.11
    2-hexanone 757.21
    octyl acetate 310.58
    limonene 368.73
    1,2-dimethoxyethane 1706.77
    ethyl orthosilicate 260.74
    tributyl phosphate 222.78
    diacetone alcohol 874.76
    N,N-dimethylaniline 620.17
    acrylonitrile 1928.67
    aniline 1859.35
    1,3-propanediol 736.34
    bromobenzene 2035.99
    dibromomethane 2415.83
    1,1,2,2-tetrachloroethane 3158.46
    2-methyl-cyclohexyl acetate 463.33
    tetrabutyl urea 244.1
    diisobutyl methanol 271.63
    2-phenylethanol 875.31
    styrene 841.16
    dioctyl adipate 330.56
    dimethyl sulfate 574.15
    ethyl butyrate 706.78
    methyl lactate 424.13
    butyl lactate 457.39
    diethyl carbonate 445.78
    propanediol butyl ether 524.54
    triethyl orthoformate 455.51
    p-tert-butyltoluene 319.53
    methyl 4-tert-butylbenzoate 609.62
    morpholine 4202.88
    tert-butylamine 972.62
    n-dodecanol 101.11
    dimethoxymethane 1577.14
    ethylene carbonate 1250.75
    cyrene 428.65
    2-ethoxyethyl acetate 1007.43
    2-ethylhexyl acetate 802.62
    1,2,4-trichlorobenzene 1494.45
    4-methylpyridine 3358.78
    dibutyl ether 459.17
    2,6-dimethyl-4-heptanol 271.63
    DEF 1150.42
    dimethyl isosorbide 1021.89
    tetrachloroethylene 1910.85
    eugenol 563.21
    triacetin 671.12
    span 80 432.77
    1,4-butanediol 163.02
    1,1-dichloroethane 2869.38
    2-methyl-1-pentanol 398.22
    methyl formate 936.73
    2-methyl-1-butanol 734.44
    n-decane 27.98
    butyronitrile 1782.79
    3,7-dimethyl-1-octanol 324.63
    1-chlorooctane 205.42
    1-chlorotetradecane 59.25
    n-nonane 26.81
    undecane 18.12
    tert-butylcyclohexane 83.81
    cyclooctane 85.34
    cyclopentanol 971.73
    tetrahydropyran 3789.23
    tert-amyl methyl ether 722.64
    2,5,8-trioxanonane 971.27
    1-hexene 326.47
    2-isopropoxyethanol 478.3
    2,2,2-trifluoroethanol 285.6
    methyl butyrate 941.46

    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