4,4a,5,6,7,8-Hexahydro-4a,8-dimethyl-2(3H)-naphthalenone

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  • Identifiers

    CAS number
    4071-63-0

    Molecular formula
    C12H18O

    SMILES
    CC1CCCC2(C1=CC(=O)CC2)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 67.56%
    Woody 61.89%
    Tobacco 39.21%
    Musk 36.23%
    Berry 35.33%
    Floral 34.59%
    Dry 34.52%
    Orris 33.4%
    Cedar 31.67%
    Powdery 31.03%

     

    Flavor
    Minty 31.36%
    Woody 30.5%
    Camphor 26.48%
    Spice 25.57%
    Spicy 23.95%
    Coumarin 22.85%
    Ripe apricot 22.16%
    Herbal 21.81%
    Red fruit 21.56%
    Musk 21.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.07 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 103.81 ˚C est.

  • Synonyms

    • 4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-one
    • 4071-63-0
    • RefChem:1069353
    • 4,4a,5,6,7,8-Hexahydro-4a,8-dimethyl-2(3H)-naphthalenone
    • 223-782-7
    • 4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
    • 4a,8-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
    • 17990-00-0
    • EINECS 223-782-7
    • NSC126342
    • SCHEMBL11671628
    • DTXSID10961113
    • DTXSID50276031
    • NSC-126342
    • NS00049331
    • 6S,10R-Dimethylbicyclo[4.4.0]decan-1-en3-one
    • A826122
    • Bicyclo[4.4.0]decan-1-en3-one, 6S,10R-dimethyl-
    • (4aS,8R)-4a,8-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
    • 4071-63-0

  • Applications

    Chemical name: 4,4a,5,6,7,8-Hexahydro-4a,8-dimethyl-2(3H)-naphthalenone; CAS number: 4071-63-0 is primarily used as an intermediate in fragrance chemistry, supporting the synthesis of odor-active compounds and often acting as a heavier base note with potential fixative properties in perfumery. It is commonly evaluated for use as a fragrance intermediate in cosmetics/personal care products and in household formulations (detergents, cleaners, air fresheners) to contribute specific scent profiles. In industrial manufacturing, it serves as a building block for other aroma chemicals and fine chemicals, enabling the development of specialized fragrance materials. The use of this compound is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 565.41
    methanol 517.79
    isopropanol 471.75
    water 0.81
    ethyl acetate 1054.54
    n-propanol 536.32
    acetone 1172.5
    n-butanol 431.72
    acetonitrile 936.46
    DMF 1217.33
    toluene 851.99
    isobutanol 315.6
    1,4-dioxane 1986.94
    methyl acetate 883.53
    THF 2211.72
    2-butanone 984.97
    n-pentanol 153.98
    sec-butanol 239.51
    n-hexane 22.85
    ethylene glycol 86.06
    NMP 562.37
    cyclohexane 87.05
    DMSO 779.03
    n-butyl acetate 542.68
    n-octanol 122.64
    chloroform 2132.52
    n-propyl acetate 312.66
    acetic acid 206.47
    dichloromethane 1982.02
    cyclohexanone 1125.17
    propylene glycol 91.83
    isopropyl acetate 537.37
    DMAc 554.53
    2-ethoxyethanol 283.93
    isopentanol 289.63
    n-heptane 26.33
    ethyl formate 475.63
    1,2-dichloroethane 1427.38
    n-hexanol 353.38
    2-methoxyethanol 723.16
    isobutyl acetate 204.42
    tetrachloromethane 244.88
    n-pentyl acetate 267.55
    transcutol 1545.15
    n-heptanol 135.17
    ethylbenzene 231.32
    MIBK 363.5
    2-propoxyethanol 702.17
    tert-butanol 403.16
    MTBE 527.07
    2-butoxyethanol 295.28
    propionic acid 280.41
    o-xylene 307.99
    formic acid 81.15
    diethyl ether 773.97
    m-xylene 428.61
    p-xylene 259.03
    chlorobenzene 775.98
    dimethyl carbonate 313.33
    n-octane 14.14
    formamide 197.55
    cyclopentanone 1457.18
    2-pentanone 739.23
    anisole 497.04
    cyclopentyl methyl ether 695.63
    gamma-butyrolactone 1368.47
    1-methoxy-2-propanol 578.27
    pyridine 1380.81
    3-pentanone 588.29
    furfural 911.87
    n-dodecane 11.95
    diethylene glycol 392.93
    diisopropyl ether 170.25
    tert-amyl alcohol 218.26
    acetylacetone 776.07
    n-hexadecane 14.69
    acetophenone 340.52
    methyl propionate 740.78
    isopentyl acetate 423.33
    trichloroethylene 2113.7
    n-nonanol 109.11
    cyclohexanol 321.21
    benzyl alcohol 274.48
    2-ethylhexanol 167.31
    isooctanol 109.09
    dipropyl ether 255.39
    1,2-dichlorobenzene 545.95
    ethyl lactate 124.0
    propylene carbonate 507.24
    n-methylformamide 652.53
    2-pentanol 210.71
    n-pentane 35.03
    1-propoxy-2-propanol 414.43
    1-methoxy-2-propyl acetate 543.27
    2-(2-methoxypropoxy) propanol 259.93
    mesitylene 230.99
    ε-caprolactone 785.33
    p-cymene 126.48
    epichlorohydrin 1878.44
    1,1,1-trichloroethane 997.43
    2-aminoethanol 184.86
    morpholine-4-carbaldehyde 894.98
    sulfolane 866.6
    2,2,4-trimethylpentane 16.86
    2-methyltetrahydrofuran 998.87
    n-hexyl acetate 361.28
    isooctane 20.68
    2-(2-butoxyethoxy)ethanol 405.49
    sec-butyl acetate 228.93
    tert-butyl acetate 456.76
    decalin 33.16
    glycerin 131.22
    diglyme 800.82
    acrylic acid 215.22
    isopropyl myristate 131.46
    n-butyric acid 459.14
    acetyl acetate 432.24
    di(2-ethylhexyl) phthalate 111.61
    ethyl propionate 342.36
    nitromethane 790.99
    1,2-diethoxyethane 581.99
    benzonitrile 557.3
    trioctyl phosphate 81.72
    1-bromopropane 703.54
    gamma-valerolactone 1539.07
    n-decanol 81.18
    triethyl phosphate 117.3
    4-methyl-2-pentanol 132.53
    propionitrile 838.11
    vinylene carbonate 554.77
    1,1,2-trichlorotrifluoroethane 474.41
    DMS 381.7
    cumene 134.54
    2-octanol 88.91
    2-hexanone 302.76
    octyl acetate 159.4
    limonene 157.55
    1,2-dimethoxyethane 663.64
    ethyl orthosilicate 114.3
    tributyl phosphate 109.81
    diacetone alcohol 393.11
    N,N-dimethylaniline 232.75
    acrylonitrile 932.41
    aniline 587.78
    1,3-propanediol 331.89
    bromobenzene 890.49
    dibromomethane 1190.61
    1,1,2,2-tetrachloroethane 1312.64
    2-methyl-cyclohexyl acetate 192.7
    tetrabutyl urea 127.69
    diisobutyl methanol 109.15
    2-phenylethanol 358.32
    styrene 298.86
    dioctyl adipate 157.39
    dimethyl sulfate 341.96
    ethyl butyrate 283.25
    methyl lactate 213.52
    butyl lactate 170.24
    diethyl carbonate 186.08
    propanediol butyl ether 214.5
    triethyl orthoformate 177.3
    p-tert-butyltoluene 128.7
    methyl 4-tert-butylbenzoate 266.92
    morpholine 1776.12
    tert-butylamine 252.49
    n-dodecanol 62.61
    dimethoxymethane 1001.91
    ethylene carbonate 489.53
    cyrene 198.01
    2-ethoxyethyl acetate 469.3
    2-ethylhexyl acetate 311.24
    1,2,4-trichlorobenzene 592.2
    4-methylpyridine 1187.19
    dibutyl ether 194.32
    2,6-dimethyl-4-heptanol 109.15
    DEF 578.69
    dimethyl isosorbide 480.16
    tetrachloroethylene 783.58
    eugenol 251.31
    triacetin 290.67
    span 80 198.47
    1,4-butanediol 75.9
    1,1-dichloroethane 1294.37
    2-methyl-1-pentanol 132.59
    methyl formate 512.37
    2-methyl-1-butanol 230.37
    n-decane 20.33
    butyronitrile 702.68
    3,7-dimethyl-1-octanol 137.28
    1-chlorooctane 112.52
    1-chlorotetradecane 43.93
    n-nonane 18.95
    undecane 15.15
    tert-butylcyclohexane 30.66
    cyclooctane 28.3
    cyclopentanol 345.02
    tetrahydropyran 1526.35
    tert-amyl methyl ether 252.35
    2,5,8-trioxanonane 454.18
    1-hexene 112.03
    2-isopropoxyethanol 207.27
    2,2,2-trifluoroethanol 109.12
    methyl butyrate 375.0

    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