1-(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)ethanone

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  • Identifiers

    CAS number
    54464-59-4

    Molecular formula
    C16H26O

    SMILES
    CC1CC2=C(CCCC2(C)C)CC1(C)C(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 88.0%
    Amber 58.32%
    Dry 50.6%
    Musk 50.28%
    Orris 48.88%
    Cedar 46.32%
    Floral 44.23%
    Vetiver 42.93%
    Powdery 42.78%
    Tobacco 38.93%

     

    Flavor
    Woody 66.35%
    Camphor 48.15%
    Herbal 38.54%
    Sweet 36.57%
    Dry 36.57%
    Pine 34.77%
    Earthy 31.94%
    Wood 29.53%
    Spicy 25.47%
    Powdery 25.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.25 (weak base)

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 120.46 ˚C est.

  • Synonyms

    • 54464-59-4
    • Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-
    • DTXSID5052200
    • 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)ethanone
    • RefChem:1053694
    • DTXCID7030771
    • 259-175-9
    • 1-(2,3,5,5-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)ethanone
    • 1-(2,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethan-1-one
    • 1-(2,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
    • EINECS 259-175-9
    • 1-(Octahydro-2,3,5,5-tetramethyl-2-naphthyl)ethan-1-one
    • SCHEMBL3505752
    • LCZYWDBISQLZSE-UHFFFAOYSA-N
    • EINECS 269-753-2
    • 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethyl-2-naphthyl)ethan-1-one
    • 1I005A969M
    • NS00019527
    • Q27252439
    • 2,3,5,5-TETRAMETHYL-2- ACETYL-1,2,3,4,5,6,7,8-OCTAHYDRONAPHTHALENES
    • 54464-59-4

  • Applications

    Known as 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)ethanone (CAS 54464-59-4), this compound is primarily considered for commercial use in fragrance and cosmetics applications. In practice, it is used as a fragrance ingredient and fixative to help extend scent in perfumes and personal care products; it may also be used as a fragrance component in household care products such as floor cleaners and detergents; it serves as an intermediate in the synthesis of other fragrance materials and may be evaluated for fragrance-related applications in manufacturing, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 316.11
    methanol 331.1
    isopropanol 296.56
    water 0.75
    ethyl acetate 923.7
    n-propanol 361.02
    acetone 851.32
    n-butanol 323.19
    acetonitrile 891.71
    DMF 1294.19
    toluene 1685.67
    isobutanol 284.54
    1,4-dioxane 1891.94
    methyl acetate 882.28
    THF 2035.07
    2-butanone 973.94
    n-pentanol 168.67
    sec-butanol 250.21
    n-hexane 74.6
    ethylene glycol 40.46
    NMP 951.83
    cyclohexane 234.37
    DMSO 441.44
    n-butyl acetate 664.93
    n-octanol 150.96
    chloroform 2843.04
    n-propyl acetate 460.86
    acetic acid 274.42
    dichloromethane 2129.49
    cyclohexanone 1653.35
    propylene glycol 67.98
    isopropyl acetate 638.0
    DMAc 911.87
    2-ethoxyethanol 263.53
    isopentanol 326.4
    n-heptane 42.62
    ethyl formate 449.13
    1,2-dichloroethane 1321.81
    n-hexanol 351.79
    2-methoxyethanol 479.42
    isobutyl acetate 331.47
    tetrachloromethane 556.16
    n-pentyl acetate 437.66
    transcutol 1491.34
    n-heptanol 178.37
    ethylbenzene 579.85
    MIBK 465.01
    2-propoxyethanol 587.36
    tert-butanol 363.21
    MTBE 612.73
    2-butoxyethanol 357.34
    propionic acid 324.78
    o-xylene 796.08
    formic acid 89.65
    diethyl ether 763.22
    m-xylene 886.42
    p-xylene 756.14
    chlorobenzene 1452.77
    dimethyl carbonate 387.62
    n-octane 15.84
    formamide 206.02
    cyclopentanone 1574.07
    2-pentanone 737.99
    anisole 882.16
    cyclopentyl methyl ether 880.17
    gamma-butyrolactone 1503.01
    1-methoxy-2-propanol 442.73
    pyridine 1946.48
    3-pentanone 705.38
    furfural 1365.2
    n-dodecane 10.29
    diethylene glycol 283.41
    diisopropyl ether 257.82
    tert-amyl alcohol 295.12
    acetylacetone 823.74
    n-hexadecane 13.4
    acetophenone 730.04
    methyl propionate 721.8
    isopentyl acetate 648.81
    trichloroethylene 2787.67
    n-nonanol 138.42
    cyclohexanol 497.03
    benzyl alcohol 508.6
    2-ethylhexanol 227.55
    isooctanol 160.66
    dipropyl ether 330.47
    1,2-dichlorobenzene 1166.78
    ethyl lactate 184.2
    propylene carbonate 819.53
    n-methylformamide 537.72
    2-pentanol 222.16
    n-pentane 76.03
    1-propoxy-2-propanol 432.96
    1-methoxy-2-propyl acetate 728.56
    2-(2-methoxypropoxy) propanol 350.98
    mesitylene 519.39
    ε-caprolactone 1224.65
    p-cymene 266.97
    epichlorohydrin 1695.28
    1,1,1-trichloroethane 1558.19
    2-aminoethanol 124.58
    morpholine-4-carbaldehyde 1273.26
    sulfolane 1085.01
    2,2,4-trimethylpentane 43.51
    2-methyltetrahydrofuran 1246.94
    n-hexyl acetate 558.73
    isooctane 39.1
    2-(2-butoxyethoxy)ethanol 456.18
    sec-butyl acetate 383.66
    tert-butyl acetate 666.41
    decalin 99.78
    glycerin 104.47
    diglyme 1069.99
    acrylic acid 297.65
    isopropyl myristate 185.62
    n-butyric acid 489.58
    acetyl acetate 627.94
    di(2-ethylhexyl) phthalate 198.45
    ethyl propionate 456.34
    nitromethane 792.08
    1,2-diethoxyethane 578.11
    benzonitrile 998.26
    trioctyl phosphate 121.43
    1-bromopropane 769.25
    gamma-valerolactone 1879.64
    n-decanol 89.47
    triethyl phosphate 218.47
    4-methyl-2-pentanol 168.29
    propionitrile 814.85
    vinylene carbonate 897.54
    1,1,2-trichlorotrifluoroethane 797.68
    DMS 638.26
    cumene 332.68
    2-octanol 118.55
    2-hexanone 423.8
    octyl acetate 220.58
    limonene 304.29
    1,2-dimethoxyethane 763.01
    ethyl orthosilicate 213.26
    tributyl phosphate 155.19
    diacetone alcohol 446.32
    N,N-dimethylaniline 558.07
    acrylonitrile 1001.27
    aniline 1105.44
    1,3-propanediol 196.88
    bromobenzene 1645.98
    dibromomethane 1351.27
    1,1,2,2-tetrachloroethane 2046.68
    2-methyl-cyclohexyl acetate 384.25
    tetrabutyl urea 192.75
    diisobutyl methanol 153.42
    2-phenylethanol 579.8
    styrene 714.1
    dioctyl adipate 260.94
    dimethyl sulfate 489.6
    ethyl butyrate 428.85
    methyl lactate 248.57
    butyl lactate 305.29
    diethyl carbonate 318.51
    propanediol butyl ether 279.06
    triethyl orthoformate 315.68
    p-tert-butyltoluene 277.82
    methyl 4-tert-butylbenzoate 500.13
    morpholine 1680.12
    tert-butylamine 290.25
    n-dodecanol 61.38
    dimethoxymethane 792.96
    ethylene carbonate 771.75
    cyrene 361.79
    2-ethoxyethyl acetate 663.67
    2-ethylhexyl acetate 523.53
    1,2,4-trichlorobenzene 1298.92
    4-methylpyridine 2108.55
    dibutyl ether 241.57
    2,6-dimethyl-4-heptanol 153.42
    DEF 776.0
    dimethyl isosorbide 765.14
    tetrachloroethylene 1362.62
    eugenol 464.02
    triacetin 534.25
    span 80 294.37
    1,4-butanediol 64.7
    1,1-dichloroethane 1407.34
    2-methyl-1-pentanol 190.99
    methyl formate 415.3
    2-methyl-1-butanol 282.34
    n-decane 22.91
    butyronitrile 711.3
    3,7-dimethyl-1-octanol 176.94
    1-chlorooctane 151.85
    1-chlorotetradecane 46.0
    n-nonane 21.15
    undecane 14.64
    tert-butylcyclohexane 79.28
    cyclooctane 77.73
    cyclopentanol 411.48
    tetrahydropyran 1664.87
    tert-amyl methyl ether 403.1
    2,5,8-trioxanonane 584.05
    1-hexene 241.81
    2-isopropoxyethanol 229.68
    2,2,2-trifluoroethanol 171.3
    methyl butyrate 542.72

    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