2H-2,4a-Methanonaphthalen-6(5H)-one, hexahydro-1,1,5,5-tetramethyl-

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  • Identifiers

    CAS number
    67952-58-3

    Molecular formula
    C15H24O

    SMILES
    CC1(C2CCC3(C2)C1CCC(=O)C3(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.09%
    Cedar 56.55%
    Camphoreous 55.49%
    Dry 53.7%
    Amber 53.56%
    Earthy 47.35%
    Pine 43.29%
    Herbal 41.22%
    Vetiver 40.9%
    Musk 37.48%

     

    Flavor
    Camphor 60.18%
    Woody 60.12%
    Pine 44.66%
    Herbal 40.29%
    Earthy 35.04%
    Dry 31.67%
    Minty 31.06%
    Earth 30.68%
    Spicy 30.61%
    Bitter 30.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.5 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    319°C

    Flash point

    • 123.94 ˚C est.

  • Synonyms

    • Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-6(5H)-one
    • EINECS 267-912-0
    • 2H-2,4a-Methanonaphthalen-6(5H)-one, hexahydro-1,1,5,5-tetramethyl-
    • DTXSID60867414
    • 2,2,7,7-Tetramethyltricyclo(6.2.1.0(1,6)-undecan-3-one
    • RefChem:90096
    • DTXCID10815602
    • 267-912-0
    • 67952-58-3
    • NILGFRKAXFZEPN-UHFFFAOYSA-N
    • NS00054654
    • 1,1,5,5-Tetramethylhexahydro-2H-2,4a-methanonaphthalen-6(5H)-one
    • 67952-58-3

  • Applications

    For 2H-2,4a-Methanonaphthalen-6(5H)-one, hexahydro-1,1,5,5-tetramethyl- (CAS 67952-58-3), practical applications are primarily as a fragrance/odorant component or fixative in perfumery and cosmetics; as an intermediate in organic synthesis for pharmaceutical and agrochemical derivatives; as a building block for specialty polymers and resins used in coatings, inks, and adhesives; and as a rigid bicyclic ketone scaffold for the synthesis of chiral or structurally complex compounds in chemical research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 450.1
    methanol 563.78
    isopropanol 453.43
    water 10.65
    ethyl acetate 1013.93
    n-propanol 438.58
    acetone 1430.15
    n-butanol 379.52
    acetonitrile 1247.54
    DMF 1847.32
    toluene 1175.49
    isobutanol 307.38
    1,4-dioxane 1727.63
    methyl acetate 934.65
    THF 3268.99
    2-butanone 961.81
    n-pentanol 150.02
    sec-butanol 232.69
    n-hexane 26.66
    ethylene glycol 147.29
    NMP 1004.8
    cyclohexane 93.76
    DMSO 695.89
    n-butyl acetate 439.52
    n-octanol 121.21
    chloroform 2681.42
    n-propyl acetate 410.0
    acetic acid 407.86
    dichloromethane 2043.19
    cyclohexanone 1371.92
    propylene glycol 143.29
    isopropyl acetate 776.65
    DMAc 846.84
    2-ethoxyethanol 343.09
    isopentanol 304.5
    n-heptane 27.87
    ethyl formate 596.82
    1,2-dichloroethane 1310.37
    n-hexanol 251.74
    2-methoxyethanol 888.09
    isobutyl acetate 298.02
    tetrachloromethane 493.45
    n-pentyl acetate 312.21
    transcutol 841.78
    n-heptanol 156.42
    ethylbenzene 354.99
    MIBK 570.02
    2-propoxyethanol 678.16
    tert-butanol 430.22
    MTBE 510.74
    2-butoxyethanol 379.66
    propionic acid 392.05
    o-xylene 520.45
    formic acid 228.61
    diethyl ether 657.06
    m-xylene 741.42
    p-xylene 482.09
    chlorobenzene 1102.48
    dimethyl carbonate 595.28
    n-octane 14.31
    formamide 499.24
    cyclopentanone 2202.04
    2-pentanone 862.66
    anisole 721.52
    cyclopentyl methyl ether 1042.63
    gamma-butyrolactone 2295.73
    1-methoxy-2-propanol 790.51
    pyridine 1612.26
    3-pentanone 650.3
    furfural 1632.84
    n-dodecane 11.27
    diethylene glycol 466.07
    diisopropyl ether 243.13
    tert-amyl alcohol 233.07
    acetylacetone 1281.12
    n-hexadecane 14.06
    acetophenone 561.14
    methyl propionate 801.41
    isopentyl acetate 432.35
    trichloroethylene 2516.62
    n-nonanol 118.72
    cyclohexanol 404.04
    benzyl alcohol 409.56
    2-ethylhexanol 142.81
    isooctanol 129.44
    dipropyl ether 245.2
    1,2-dichlorobenzene 892.45
    ethyl lactate 196.87
    propylene carbonate 990.12
    n-methylformamide 1086.07
    2-pentanol 244.63
    n-pentane 44.95
    1-propoxy-2-propanol 426.02
    1-methoxy-2-propyl acetate 674.3
    2-(2-methoxypropoxy) propanol 274.09
    mesitylene 422.94
    ε-caprolactone 1035.57
    p-cymene 172.82
    epichlorohydrin 2253.41
    1,1,1-trichloroethane 1507.92
    2-aminoethanol 247.88
    morpholine-4-carbaldehyde 1321.55
    sulfolane 1449.83
    2,2,4-trimethylpentane 25.96
    2-methyltetrahydrofuran 1264.27
    n-hexyl acetate 373.63
    isooctane 30.46
    2-(2-butoxyethoxy)ethanol 359.27
    sec-butyl acetate 320.24
    tert-butyl acetate 732.91
    decalin 48.85
    glycerin 248.73
    diglyme 854.27
    acrylic acid 391.8
    isopropyl myristate 154.07
    n-butyric acid 578.38
    acetyl acetate 813.04
    di(2-ethylhexyl) phthalate 145.08
    ethyl propionate 452.0
    nitromethane 1525.02
    1,2-diethoxyethane 397.68
    benzonitrile 794.45
    trioctyl phosphate 107.08
    1-bromopropane 630.58
    gamma-valerolactone 2237.13
    n-decanol 83.3
    triethyl phosphate 164.5
    4-methyl-2-pentanol 175.91
    propionitrile 924.83
    vinylene carbonate 1077.58
    1,1,2-trichlorotrifluoroethane 849.04
    DMS 569.66
    cumene 206.54
    2-octanol 98.15
    2-hexanone 340.45
    octyl acetate 180.7
    limonene 190.29
    1,2-dimethoxyethane 773.76
    ethyl orthosilicate 156.58
    tributyl phosphate 125.94
    diacetone alcohol 527.26
    N,N-dimethylaniline 376.16
    acrylonitrile 1248.62
    aniline 844.22
    1,3-propanediol 407.33
    bromobenzene 1196.12
    dibromomethane 1206.71
    1,1,2,2-tetrachloroethane 1606.09
    2-methyl-cyclohexyl acetate 261.0
    tetrabutyl urea 156.2
    diisobutyl methanol 117.57
    2-phenylethanol 460.37
    styrene 433.16
    dioctyl adipate 194.46
    dimethyl sulfate 754.18
    ethyl butyrate 336.38
    methyl lactate 363.0
    butyl lactate 228.5
    diethyl carbonate 242.71
    propanediol butyl ether 234.08
    triethyl orthoformate 235.19
    p-tert-butyltoluene 185.22
    methyl 4-tert-butylbenzoate 427.93
    morpholine 1513.92
    tert-butylamine 277.7
    n-dodecanol 60.2
    dimethoxymethane 1446.31
    ethylene carbonate 919.24
    cyrene 314.44
    2-ethoxyethyl acetate 507.37
    2-ethylhexyl acetate 315.53
    1,2,4-trichlorobenzene 894.27
    4-methylpyridine 1541.53
    dibutyl ether 155.37
    2,6-dimethyl-4-heptanol 117.57
    DEF 656.96
    dimethyl isosorbide 612.32
    tetrachloroethylene 1065.45
    eugenol 367.01
    triacetin 391.55
    span 80 226.99
    1,4-butanediol 114.14
    1,1-dichloroethane 1469.55
    2-methyl-1-pentanol 136.87
    methyl formate 967.1
    2-methyl-1-butanol 236.76
    n-decane 21.48
    butyronitrile 756.01
    3,7-dimethyl-1-octanol 133.37
    1-chlorooctane 106.88
    1-chlorotetradecane 40.97
    n-nonane 18.33
    undecane 15.12
    tert-butylcyclohexane 41.53
    cyclooctane 37.67
    cyclopentanol 520.58
    tetrahydropyran 1324.36
    tert-amyl methyl ether 299.77
    2,5,8-trioxanonane 473.39
    1-hexene 107.25
    2-isopropoxyethanol 249.33
    2,2,2-trifluoroethanol 359.19
    methyl butyrate 502.28

    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