1-(2,3,8,8-Tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone

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  • Identifiers

    CAS number
    68155-67-9

    Molecular formula
    C16H26O

    SMILES
    CC1CC2=CCCC(C2CC1(C)C(=O)C)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 87.85%
    Amber 53.9%
    Dry 50.05%
    Cedar 47.63%
    Orris 43.57%
    Vetiver 42.71%
    Musk 39.98%
    Tobacco 37.4%
    Camphoreous 37.03%
    Herbal 35.52%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point est.
    117.7 ˚C

  • Synonyms

    • 68155-67-9
    • Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-
    • EINECS 268-979-9
    • Z578SE5DGN
    • 1-(1,2,3,4,6,7,8,8a-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one
    • 1-(2,3,8,8-tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
    • 1-(2,3,8,8-tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethan-1-one
    • UNII-Z578SE5DGN
    • SCHEMBL3109638
    • DTXSID6041923
    • YLWIXGWLTDBBHL-UHFFFAOYSA-N
    • NS00013073
    • Q27295015
    • 2,3,8,8-TETRAMETHYL-2- ACETYL-1,2,3,4,6,7,8,8A-OCTAHYDRONAPHTHALENES
    • 2,3,8,8-TETRAMETHYL-2-ACETYL-1,2,3,4,6,7,8,8A-OCTAHYDRONAPHTHALENES
    • Timbersilk

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.45
    methanol 124.55
    isopropanol 172.26
    water 0.71
    ethyl acetate 343.35
    n-propanol 173.61
    acetone 371.29
    n-butanol 170.67
    acetonitrile 356.62
    DMF 575.33
    toluene 699.46
    isobutanol 152.82
    1,4-dioxane 901.3
    methyl acetate 375.27
    THF 1112.16
    2-butanone 448.08
    n-pentanol 106.39
    sec-butanol 152.27
    n-hexane 28.2
    ethylene glycol 20.73
    NMP 496.47
    cyclohexane 108.5
    DMSO 200.62
    n-butyl acetate 344.47
    n-octanol 123.55
    chloroform 1369.24
    n-propyl acetate 222.37
    acetic acid 126.47
    dichloromethane 1018.81
    cyclohexanone 714.64
    propylene glycol 45.17
    isopropyl acetate 265.6
    DMAc 461.65
    2-ethoxyethanol 138.38
    isopentanol 164.62
    n-heptane 36.63
    ethyl formate 200.0
    1,2-dichloroethane 503.26
    n-hexanol 215.72
    2-methoxyethanol 229.94
    isobutyl acetate 190.07
    tetrachloromethane 221.79
    n-pentyl acetate 238.09
    transcutol 710.01
    n-heptanol 139.11
    ethylbenzene 286.86
    MIBK 234.37
    2-propoxyethanol 319.56
    tert-butanol 211.03
    MTBE 257.96
    2-butoxyethanol 212.22
    propionic acid 150.02
    o-xylene 387.36
    formic acid 33.99
    diethyl ether 252.67
    m-xylene 448.5
    p-xylene 414.61
    chlorobenzene 624.15
    dimethyl carbonate 154.85
    n-octane 17.08
    formamide 81.78
    cyclopentanone 816.97
    2-pentanone 318.01
    anisole 432.34
    cyclopentyl methyl ether 426.95
    gamma-butyrolactone 693.77
    1-methoxy-2-propanol 244.07
    pyridine 886.95
    3-pentanone 280.77
    furfural 619.09
    n-dodecane 14.09
    diethylene glycol 164.34
    diisopropyl ether 112.29
    tert-amyl alcohol 163.49
    acetylacetone 388.22
    n-hexadecane 17.38
    acetophenone 370.28
    methyl propionate 278.82
    isopentyl acetate 340.46
    trichloroethylene 1146.77
    n-nonanol 119.37
    cyclohexanol 234.1
    benzyl alcohol 273.7
    2-ethylhexanol 167.99
    isooctanol 121.74
    dipropyl ether 188.56
    1,2-dichlorobenzene 528.44
    ethyl lactate 108.38
    propylene carbonate 406.34
    n-methylformamide 190.87
    2-pentanol 121.58
    n-pentane 34.8
    1-propoxy-2-propanol 283.47
    1-methoxy-2-propyl acetate 370.97
    2-(2-methoxypropoxy) propanol 246.93
    mesitylene 276.84
    ε-caprolactone 548.75
    p-cymene 194.94
    epichlorohydrin 726.83
    1,1,1-trichloroethane 662.58
    2-aminoethanol 62.12
    morpholine-4-carbaldehyde 643.67
    sulfolane 524.85
    2,2,4-trimethylpentane 26.47
    2-methyltetrahydrofuran 639.4
    n-hexyl acetate 322.81
    isooctane 24.77
    2-(2-butoxyethoxy)ethanol 288.45
    sec-butyl acetate 189.49
    tert-butyl acetate 290.52
    decalin 59.3
    glycerin 59.78
    diglyme 548.9
    acrylic acid 133.98
    isopropyl myristate 144.32
    n-butyric acid 237.3
    acetyl acetate 270.4
    di(2-ethylhexyl) phthalate 152.88
    ethyl propionate 208.21
    nitromethane 321.49
    1,2-diethoxyethane 326.75
    benzonitrile 494.72
    trioctyl phosphate 98.57
    1-bromopropane 325.43
    gamma-valerolactone 890.74
    n-decanol 88.92
    triethyl phosphate 138.12
    4-methyl-2-pentanol 102.18
    propionitrile 331.72
    vinylene carbonate 440.56
    1,1,2-trichlorotrifluoroethane 352.27
    DMS 303.02
    cumene 190.07
    2-octanol 99.71
    2-hexanone 239.46
    octyl acetate 170.8
    limonene 217.95
    1,2-dimethoxyethane 367.64
    ethyl orthosilicate 135.61
    tributyl phosphate 114.71
    diacetone alcohol 251.06
    N,N-dimethylaniline 282.54
    acrylonitrile 373.86
    aniline 465.13
    1,3-propanediol 103.84
    bromobenzene 731.96
    dibromomethane 624.35
    1,1,2,2-tetrachloroethane 812.34
    2-methyl-cyclohexyl acetate 260.19
    tetrabutyl urea 142.82
    diisobutyl methanol 112.89
    2-phenylethanol 346.26
    styrene 343.79
    dioctyl adipate 188.91
    dimethyl sulfate 198.0
    ethyl butyrate 254.83
    methyl lactate 130.55
    butyl lactate 185.92
    diethyl carbonate 184.61
    propanediol butyl ether 193.39
    triethyl orthoformate 190.96
    p-tert-butyltoluene 200.21
    methyl 4-tert-butylbenzoate 310.08
    morpholine 796.77
    tert-butylamine 164.39
    n-dodecanol 68.45
    dimethoxymethane 355.74
    ethylene carbonate 349.2
    cyrene 246.8
    2-ethoxyethyl acetate 314.79
    2-ethylhexyl acetate 282.37
    1,2,4-trichlorobenzene 592.79
    4-methylpyridine 911.79
    dibutyl ether 160.77
    2,6-dimethyl-4-heptanol 112.89
    DEF 307.46
    dimethyl isosorbide 499.47
    tetrachloroethylene 498.34
    eugenol 283.19
    triacetin 320.38
    span 80 231.32
    1,4-butanediol 40.23
    1,1-dichloroethane 610.65
    2-methyl-1-pentanol 121.76
    methyl formate 165.64
    2-methyl-1-butanol 151.02
    n-decane 24.99
    butyronitrile 332.06
    3,7-dimethyl-1-octanol 145.62
    1-chlorooctane 110.1
    1-chlorotetradecane 46.66
    n-nonane 22.06
    undecane 18.14
    tert-butylcyclohexane 49.83
    cyclooctane 40.2
    cyclopentanol 229.87
    tetrahydropyran 805.44
    tert-amyl methyl ether 177.98
    2,5,8-trioxanonane 355.86
    1-hexene 105.47
    2-isopropoxyethanol 129.77
    2,2,2-trifluoroethanol 70.9
    methyl butyrate 255.51

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.41 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.67 %
Category 2
Products applied to the axillae
 1.1 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.67 %
Category 3
Products applied to the face/body using fingertips
 0.41 % Category 8
Products with significant anogenital exposure
 0.19 %
Category 4
Products related to fine fragrance
 20 % Category 9
Products with body and hand exposure, primarily rinse off
 2.4 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 5.1 % Category 10A
Household care products with mostly hand contact
 2.4 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.56 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 6.6 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.76 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.19 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.19 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.19 %
Category 6
Products with oral and lip exposure
 0.0093 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction