1-(2,3,8,8-Tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone

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  • Identifiers

    CAS number
    68155-66-8

    Molecular formula
    C16H26O

    SMILES
    CC1C=C2CCCC(C2CC1(C)C(=O)C)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 87.59%
    Amber 53.54%
    Dry 49.1%
    Cedar 46.21%
    Vetiver 43.58%
    Orris 42.92%
    Musk 38.72%
    Herbal 35.55%
    Sandalwood 35.5%
    Tobacco 35.45%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    302°C

    Flash point est.
    116.8 ˚C

  • Synonyms

    • 68155-66-8
    • 1-(2,3,8,8-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
    • EINECS 268-978-3
    • 1-(1,2,3,5,6,7,8,8a-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one
    • Ethanone, 1-(1,2,3,5,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-
    • 95061D3W30
    • 1-(2,3,8,8-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)ethan-1-one
    • IsoE super
    • UNII-95061D3W30
    • SCHEMBL2160995
    • DTXSID9052397
    • NOMWSTMYQKABST-UHFFFAOYSA-N
    • FE22635
    • NS00008825
    • Q27271717
    • 2,3,8,8-TETRAMETHYL-2- ACETYL-1,2,3,5,6,7,8,8A-OCTAHYDRONAPHTHALENES
    • 2,3,8,8-TETRAMETHYL-2-ACETYL-1,2,3,5,6,7,8,8A-OCTAHYDRONAPHTHALENES
    • 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone;7-Acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethylnapht halene;Ambralux;Patchouli ethanone
    • Timbersilk

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.57
    methanol 114.46
    isopropanol 172.92
    water 0.56
    ethyl acetate 358.2
    n-propanol 173.36
    acetone 390.75
    n-butanol 173.03
    acetonitrile 357.44
    DMF 605.97
    toluene 745.34
    isobutanol 158.51
    1,4-dioxane 914.25
    methyl acetate 397.54
    THF 1150.0
    2-butanone 483.65
    n-pentanol 110.25
    sec-butanol 158.7
    n-hexane 31.07
    ethylene glycol 19.96
    NMP 545.92
    cyclohexane 118.59
    DMSO 208.19
    n-butyl acetate 372.99
    n-octanol 129.96
    chloroform 1431.44
    n-propyl acetate 235.24
    acetic acid 123.75
    dichloromethane 1072.15
    cyclohexanone 788.12
    propylene glycol 44.95
    isopropyl acetate 277.78
    DMAc 494.46
    2-ethoxyethanol 137.17
    isopentanol 170.1
    n-heptane 39.62
    ethyl formate 203.93
    1,2-dichloroethane 534.43
    n-hexanol 222.82
    2-methoxyethanol 223.16
    isobutyl acetate 202.26
    tetrachloromethane 230.04
    n-pentyl acetate 256.91
    transcutol 694.86
    n-heptanol 142.98
    ethylbenzene 309.17
    MIBK 248.8
    2-propoxyethanol 322.34
    tert-butanol 215.26
    MTBE 274.92
    2-butoxyethanol 215.26
    propionic acid 153.61
    o-xylene 412.46
    formic acid 30.39
    diethyl ether 262.3
    m-xylene 472.0
    p-xylene 442.13
    chlorobenzene 663.17
    dimethyl carbonate 161.37
    n-octane 18.72
    formamide 75.29
    cyclopentanone 893.34
    2-pentanone 339.54
    anisole 453.54
    cyclopentyl methyl ether 451.9
    gamma-butyrolactone 747.22
    1-methoxy-2-propanol 243.53
    pyridine 940.51
    3-pentanone 301.06
    furfural 642.08
    n-dodecane 15.67
    diethylene glycol 160.46
    diisopropyl ether 117.05
    tert-amyl alcohol 173.07
    acetylacetone 407.0
    n-hexadecane 19.41
    acetophenone 397.69
    methyl propionate 293.99
    isopentyl acetate 366.1
    trichloroethylene 1228.12
    n-nonanol 125.37
    cyclohexanol 249.06
    benzyl alcohol 285.91
    2-ethylhexanol 176.82
    isooctanol 127.51
    dipropyl ether 198.06
    1,2-dichlorobenzene 562.41
    ethyl lactate 113.01
    propylene carbonate 433.61
    n-methylformamide 191.39
    2-pentanol 125.83
    n-pentane 37.56
    1-propoxy-2-propanol 288.84
    1-methoxy-2-propyl acetate 385.84
    2-(2-methoxypropoxy) propanol 255.48
    mesitylene 292.57
    ε-caprolactone 596.42
    p-cymene 210.02
    epichlorohydrin 775.44
    1,1,1-trichloroethane 712.75
    2-aminoethanol 59.1
    morpholine-4-carbaldehyde 668.35
    sulfolane 572.0
    2,2,4-trimethylpentane 28.86
    2-methyltetrahydrofuran 690.05
    n-hexyl acetate 345.43
    isooctane 26.39
    2-(2-butoxyethoxy)ethanol 290.55
    sec-butyl acetate 202.1
    tert-butyl acetate 304.82
    decalin 64.71
    glycerin 58.29
    diglyme 555.09
    acrylic acid 135.9
    isopropyl myristate 156.7
    n-butyric acid 244.48
    acetyl acetate 277.76
    di(2-ethylhexyl) phthalate 164.04
    ethyl propionate 219.61
    nitromethane 324.19
    1,2-diethoxyethane 338.61
    benzonitrile 524.03
    trioctyl phosphate 106.73
    1-bromopropane 352.85
    gamma-valerolactone 942.42
    n-decanol 94.59
    triethyl phosphate 145.63
    4-methyl-2-pentanol 105.4
    propionitrile 338.88
    vinylene carbonate 458.93
    1,1,2-trichlorotrifluoroethane 363.91
    DMS 324.64
    cumene 202.39
    2-octanol 105.76
    2-hexanone 257.94
    octyl acetate 185.13
    limonene 236.68
    1,2-dimethoxyethane 373.24
    ethyl orthosilicate 142.31
    tributyl phosphate 124.73
    diacetone alcohol 260.27
    N,N-dimethylaniline 298.53
    acrylonitrile 382.68
    aniline 486.82
    1,3-propanediol 101.07
    bromobenzene 788.95
    dibromomethane 666.6
    1,1,2,2-tetrachloroethane 871.84
    2-methyl-cyclohexyl acetate 279.75
    tetrabutyl urea 155.11
    diisobutyl methanol 118.15
    2-phenylethanol 361.13
    styrene 368.74
    dioctyl adipate 205.58
    dimethyl sulfate 209.16
    ethyl butyrate 272.12
    methyl lactate 133.46
    butyl lactate 195.74
    diethyl carbonate 195.09
    propanediol butyl ether 197.49
    triethyl orthoformate 200.78
    p-tert-butyltoluene 214.52
    methyl 4-tert-butylbenzoate 328.44
    morpholine 805.07
    tert-butylamine 169.99
    n-dodecanol 73.28
    dimethoxymethane 358.3
    ethylene carbonate 363.9
    cyrene 259.3
    2-ethoxyethyl acetate 332.36
    2-ethylhexyl acetate 306.36
    1,2,4-trichlorobenzene 639.02
    4-methylpyridine 973.28
    dibutyl ether 172.19
    2,6-dimethyl-4-heptanol 118.15
    DEF 327.59
    dimethyl isosorbide 521.91
    tetrachloroethylene 520.58
    eugenol 297.08
    triacetin 341.86
    span 80 241.52
    1,4-butanediol 39.88
    1,1-dichloroethane 646.89
    2-methyl-1-pentanol 128.66
    methyl formate 167.59
    2-methyl-1-butanol 157.46
    n-decane 27.36
    butyronitrile 341.6
    3,7-dimethyl-1-octanol 155.08
    1-chlorooctane 120.66
    1-chlorotetradecane 51.69
    n-nonane 24.17
    undecane 20.08
    tert-butylcyclohexane 54.24
    cyclooctane 43.94
    cyclopentanol 244.55
    tetrahydropyran 839.54
    tert-amyl methyl ether 192.32
    2,5,8-trioxanonane 364.3
    1-hexene 114.11
    2-isopropoxyethanol 132.6
    2,2,2-trifluoroethanol 69.06
    methyl butyrate 270.62

    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