2(1H)-Naphthalenone, octahydro-3,5,5,8,8-pentamethyl-

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  • Identifiers

    CAS number
    68856-21-3

    Molecular formula
    C15H26O

    SMILES
    CC1CC2C(CC1=O)C(CCC2(C)C)(C)C

  • Odor profile

    Fragrance
    Woody 85.55%
    Camphoreous 57.75%
    Cedar 55.33%
    Dry 51.17%
    Amber 50.33%
    Herbal 48.2%
    Earthy 47.08%
    Spicy 44.16%
    Pine 42.62%
    Tobacco 39.49%

     

    Flavor
    Woody 65.25%
    Camphor 55.66%
    Herbal 47.05%
    Pine 39.9%
    Minty 38.78%
    Spicy 35.35%
    Earthy 33.31%
    Dry 31.71%
    Sweet 29.59%
    Balsam 27.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.53 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    301°C

    Flash point

    • 109.02 ˚C est.

  • Synonyms

    • 68856-21-3
    • 2(1H)-Naphthalenone, octahydro-3,5,5,8,8-pentamethyl-
    • EINECS 272-504-0
    • Octahydro-3,5,5,8,8-pentamethylnaphthalene-2(1H)-one
    • AI3-26067
    • DTXSID90887529
    • Octahydro-3,5,5,8,8-pentamethyl-2(1H)-naphthalenone
    • NSC 163934
    • NSC163934
    • SCHEMBL2952708
    • HAPDRSVNEVCRKW-UHFFFAOYSA-N
    • DTXCID301026820
    • AKOS024323114
    • NSC-163934
    • NS00061163
    • 2(1H)-Naphthalenone,5,5,8,8-pentamethyl-
    • Octahydro-3,5,8,8-pentamethyl-2(1H)-naphthalenone
    • 3,5,5,8,8-pentamethyloctahydro-2(1h)-naphthalenone

  • Applications

    2(1H)-Naphthalenone, octahydro-3,5,5,8,8-pentamethyl- (CAS 68856-21-3) is commonly used as a fragrance ingredient and fixative in perfumery and cosmetics, helping to impart and prolong aroma in personal care products. It may also be employed as a fragrance component in household cleaning products. In industrial manufacturing, it can serve as a chemical intermediate for the synthesis of specialty aroma compounds and related fine chemicals. As a building block for derivative synthesis, it is evaluated for use in polymers or coatings where odor profiles or chemical mediators are needed, depending on formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 117.84
    methanol 95.56
    isopropanol 161.02
    water 1.31
    ethyl acetate 320.41
    n-propanol 148.89
    acetone 402.77
    n-butanol 134.74
    acetonitrile 303.59
    DMF 528.49
    toluene 398.8
    isobutanol 142.89
    1,4-dioxane 547.05
    methyl acetate 375.16
    THF 860.97
    2-butanone 430.23
    n-pentanol 85.46
    sec-butanol 132.72
    n-hexane 21.35
    ethylene glycol 36.92
    NMP 476.28
    cyclohexane 65.14
    DMSO 228.94
    n-butyl acetate 333.36
    n-octanol 125.68
    chloroform 1014.15
    n-propyl acetate 213.91
    acetic acid 113.52
    dichloromethane 767.57
    cyclohexanone 635.54
    propylene glycol 63.7
    isopropyl acetate 248.38
    DMAc 470.46
    2-ethoxyethanol 121.68
    isopentanol 132.19
    n-heptane 32.42
    ethyl formate 232.68
    1,2-dichloroethane 441.18
    n-hexanol 190.36
    2-methoxyethanol 218.54
    isobutyl acetate 185.47
    tetrachloromethane 180.6
    n-pentyl acetate 218.61
    transcutol 380.88
    n-heptanol 128.03
    ethylbenzene 212.64
    MIBK 213.72
    2-propoxyethanol 291.03
    tert-butanol 206.78
    MTBE 221.04
    2-butoxyethanol 203.42
    propionic acid 156.09
    o-xylene 278.09
    formic acid 32.39
    diethyl ether 179.06
    m-xylene 286.15
    p-xylene 311.4
    chlorobenzene 440.86
    dimethyl carbonate 157.23
    n-octane 19.86
    formamide 70.25
    cyclopentanone 807.56
    2-pentanone 284.73
    anisole 319.58
    cyclopentyl methyl ether 324.79
    gamma-butyrolactone 761.95
    1-methoxy-2-propanol 228.71
    pyridine 572.74
    3-pentanone 266.85
    furfural 624.66
    n-dodecane 17.71
    diethylene glycol 166.57
    diisopropyl ether 90.16
    tert-amyl alcohol 151.2
    acetylacetone 414.27
    n-hexadecane 21.29
    acetophenone 319.59
    methyl propionate 286.83
    isopentyl acetate 321.93
    trichloroethylene 933.34
    n-nonanol 116.35
    cyclohexanol 187.58
    benzyl alcohol 214.97
    2-ethylhexanol 140.94
    isooctanol 111.63
    dipropyl ether 163.45
    1,2-dichlorobenzene 397.39
    ethyl lactate 128.0
    propylene carbonate 498.13
    n-methylformamide 209.93
    2-pentanol 102.76
    n-pentane 24.76
    1-propoxy-2-propanol 256.34
    1-methoxy-2-propyl acetate 346.5
    2-(2-methoxypropoxy) propanol 218.22
    mesitylene 189.2
    ε-caprolactone 503.25
    p-cymene 177.04
    epichlorohydrin 675.87
    1,1,1-trichloroethane 578.51
    2-aminoethanol 75.01
    morpholine-4-carbaldehyde 527.56
    sulfolane 642.84
    2,2,4-trimethylpentane 20.18
    2-methyltetrahydrofuran 499.06
    n-hexyl acetate 298.24
    isooctane 19.05
    2-(2-butoxyethoxy)ethanol 230.05
    sec-butyl acetate 177.0
    tert-butyl acetate 271.04
    decalin 44.14
    glycerin 82.01
    diglyme 434.0
    acrylic acid 143.32
    isopropyl myristate 145.58
    n-butyric acid 219.54
    acetyl acetate 263.1
    di(2-ethylhexyl) phthalate 145.82
    ethyl propionate 214.1
    nitromethane 343.38
    1,2-diethoxyethane 236.17
    benzonitrile 401.47
    trioctyl phosphate 108.05
    1-bromopropane 262.15
    gamma-valerolactone 855.7
    n-decanol 92.15
    triethyl phosphate 141.58
    4-methyl-2-pentanol 86.75
    propionitrile 276.97
    vinylene carbonate 496.13
    1,1,2-trichlorotrifluoroethane 363.85
    DMS 292.88
    cumene 156.05
    2-octanol 100.45
    2-hexanone 215.11
    octyl acetate 174.13
    limonene 193.74
    1,2-dimethoxyethane 305.59
    ethyl orthosilicate 126.69
    tributyl phosphate 121.33
    diacetone alcohol 244.11
    N,N-dimethylaniline 224.2
    acrylonitrile 340.02
    aniline 312.22
    1,3-propanediol 115.9
    bromobenzene 493.05
    dibromomethane 490.64
    1,1,2,2-tetrachloroethane 726.79
    2-methyl-cyclohexyl acetate 240.09
    tetrabutyl urea 154.81
    diisobutyl methanol 104.35
    2-phenylethanol 276.76
    styrene 229.12
    dioctyl adipate 186.46
    dimethyl sulfate 241.88
    ethyl butyrate 254.87
    methyl lactate 153.69
    butyl lactate 185.18
    diethyl carbonate 187.26
    propanediol butyl ether 178.05
    triethyl orthoformate 182.18
    p-tert-butyltoluene 180.4
    methyl 4-tert-butylbenzoate 295.82
    morpholine 488.72
    tert-butylamine 142.72
    n-dodecanol 74.97
    dimethoxymethane 299.28
    ethylene carbonate 390.71
    cyrene 231.17
    2-ethoxyethyl acetate 272.28
    2-ethylhexyl acetate 269.1
    1,2,4-trichlorobenzene 474.27
    4-methylpyridine 607.53
    dibutyl ether 144.45
    2,6-dimethyl-4-heptanol 104.35
    DEF 277.7
    dimethyl isosorbide 446.45
    tetrachloroethylene 412.69
    eugenol 257.08
    triacetin 303.69
    span 80 211.91
    1,4-butanediol 48.46
    1,1-dichloroethane 530.92
    2-methyl-1-pentanol 90.74
    methyl formate 212.42
    2-methyl-1-butanol 117.41
    n-decane 29.22
    butyronitrile 256.31
    3,7-dimethyl-1-octanol 133.41
    1-chlorooctane 112.91
    1-chlorotetradecane 53.33
    n-nonane 26.9
    undecane 22.01
    tert-butylcyclohexane 40.75
    cyclooctane 27.88
    cyclopentanol 232.5
    tetrahydropyran 470.87
    tert-amyl methyl ether 156.57
    2,5,8-trioxanonane 300.8
    1-hexene 78.1
    2-isopropoxyethanol 119.5
    2,2,2-trifluoroethanol 88.23
    methyl butyrate 266.1

    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