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

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  • Identifiers

    CAS number
    77923-74-1

    Molecular formula
    C13H20O

    SMILES
    CC1(CCCC2C13CCC(C3)C2=O)C

  • Odor profile

    Fragrance
    Woody 86.3%
    Cedar 55.03%
    Amber 46.52%
    Earthy 45.17%
    Dry 43.44%
    Camphoreous 42.49%
    Fresh 41.6%
    Herbal 39.54%
    Spicy 37.54%
    Vetiver 35.84%

     

    Flavor
    Bitter 31.37%
    Woody 29.34%
    Camphor 29.23%
    Spicy 27.78%
    Earthy 25.15%
    Fresh 24.65%
    Herbal 24.19%
    Minty 24.07%
    Soil 23.25%
    Beet 22.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.79 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    284°C

    Flash point

    • 116.12 ˚C est.

  • Synonyms

    • 2H-2,4a-Methanonaphthalen-1(5H)-one, hexahydro-5,5-dimethyl-
    • 77923-74-1
    • DTXSID50888532
    • SCHEMBL11165323
    • BFQXSHITVXYCMS-UHFFFAOYSA-N
    • DTXCID801027809

  • Applications

    2H-2,4a-Methanonaphthalen-1(5H)-one, hexahydro-5,5-dimethyl- (CAS number: 77923-74-1) is a bicyclic alicyclic ketone that is primarily encountered as a synthetic intermediate in organic synthesis. In industry it is commonly evaluated for use as a building block in fragrance chemistry, where it can serve as a core scaffold for the development of odorants or as a fixative component. It is also investigated as a chiral or rigid framework for asymmetric synthesis in pharmaceutical and agrochemical manufacturing. Additionally, it may be employed as an intermediate in the production of specialty polymers or resin additives for coatings and inks. In cosmetics and personal care, it can appear as a fragrance ingredient or scent-related intermediate, and more broadly it can function in industrial manufacturing as a niche chemical intermediate. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 347.52
    methanol 509.2
    isopropanol 282.62
    water 8.89
    ethyl acetate 513.43
    n-propanol 289.8
    acetone 689.96
    n-butanol 252.48
    acetonitrile 646.39
    DMF 815.54
    toluene 562.34
    isobutanol 190.78
    1,4-dioxane 1058.09
    methyl acetate 514.01
    THF 1362.14
    2-butanone 466.38
    n-pentanol 103.59
    sec-butanol 131.85
    n-hexane 16.51
    ethylene glycol 115.28
    NMP 429.49
    cyclohexane 49.29
    DMSO 395.3
    n-butyl acetate 283.65
    n-octanol 94.11
    chloroform 1638.48
    n-propyl acetate 219.0
    acetic acid 295.3
    dichloromethane 1230.48
    cyclohexanone 678.01
    propylene glycol 97.04
    isopropyl acetate 390.88
    DMAc 362.71
    2-ethoxyethanol 253.6
    isopentanol 202.93
    n-heptane 18.5
    ethyl formate 355.26
    1,2-dichloroethane 730.75
    n-hexanol 191.47
    2-methoxyethanol 583.93
    isobutyl acetate 166.19
    tetrachloromethane 266.11
    n-pentyl acetate 191.49
    transcutol 730.56
    n-heptanol 116.91
    ethylbenzene 194.13
    MIBK 307.12
    2-propoxyethanol 480.16
    tert-butanol 247.39
    MTBE 252.99
    2-butoxyethanol 275.22
    propionic acid 250.72
    o-xylene 258.75
    formic acid 166.26
    diethyl ether 362.71
    m-xylene 364.32
    p-xylene 238.44
    chlorobenzene 590.15
    dimethyl carbonate 280.11
    n-octane 9.89
    formamide 296.14
    cyclopentanone 916.45
    2-pentanone 420.0
    anisole 412.5
    cyclopentyl methyl ether 469.94
    gamma-butyrolactone 983.72
    1-methoxy-2-propanol 460.81
    pyridine 917.31
    3-pentanone 305.04
    furfural 849.03
    n-dodecane 9.44
    diethylene glycol 375.92
    diisopropyl ether 130.96
    tert-amyl alcohol 126.92
    acetylacetone 621.66
    n-hexadecane 11.42
    acetophenone 302.65
    methyl propionate 391.35
    isopentyl acetate 262.02
    trichloroethylene 1306.09
    n-nonanol 89.75
    cyclohexanol 206.84
    benzyl alcohol 254.98
    2-ethylhexanol 106.63
    isooctanol 97.85
    dipropyl ether 157.18
    1,2-dichlorobenzene 481.42
    ethyl lactate 130.35
    propylene carbonate 474.85
    n-methylformamide 533.58
    2-pentanol 140.72
    n-pentane 25.19
    1-propoxy-2-propanol 285.85
    1-methoxy-2-propyl acetate 408.48
    2-(2-methoxypropoxy) propanol 206.09
    mesitylene 227.22
    ε-caprolactone 519.28
    p-cymene 109.63
    epichlorohydrin 1094.93
    1,1,1-trichloroethane 703.71
    2-aminoethanol 184.2
    morpholine-4-carbaldehyde 696.92
    sulfolane 653.86
    2,2,4-trimethylpentane 14.94
    2-methyltetrahydrofuran 548.9
    n-hexyl acetate 231.52
    isooctane 19.41
    2-(2-butoxyethoxy)ethanol 284.6
    sec-butyl acetate 179.65
    tert-butyl acetate 373.07
    decalin 28.91
    glycerin 180.23
    diglyme 597.99
    acrylic acid 250.88
    isopropyl myristate 102.89
    n-butyric acid 367.65
    acetyl acetate 422.95
    di(2-ethylhexyl) phthalate 102.0
    ethyl propionate 234.24
    nitromethane 761.0
    1,2-diethoxyethane 286.58
    benzonitrile 478.8
    trioctyl phosphate 73.88
    1-bromopropane 330.88
    gamma-valerolactone 1141.73
    n-decanol 65.71
    triethyl phosphate 105.78
    4-methyl-2-pentanol 114.78
    propionitrile 512.69
    vinylene carbonate 526.2
    1,1,2-trichlorotrifluoroethane 482.89
    DMS 317.08
    cumene 129.42
    2-octanol 71.34
    2-hexanone 194.92
    octyl acetate 116.95
    limonene 117.18
    1,2-dimethoxyethane 492.67
    ethyl orthosilicate 103.82
    tributyl phosphate 86.71
    diacetone alcohol 312.2
    N,N-dimethylaniline 220.47
    acrylonitrile 713.02
    aniline 456.27
    1,3-propanediol 302.97
    bromobenzene 631.71
    dibromomethane 748.94
    1,1,2,2-tetrachloroethane 839.76
    2-methyl-cyclohexyl acetate 155.01
    tetrabutyl urea 99.44
    diisobutyl methanol 91.47
    2-phenylethanol 296.92
    styrene 241.25
    dioctyl adipate 125.13
    dimethyl sulfate 330.5
    ethyl butyrate 206.81
    methyl lactate 211.5
    butyl lactate 144.76
    diethyl carbonate 150.23
    propanediol butyl ether 174.69
    triethyl orthoformate 149.25
    p-tert-butyltoluene 113.61
    methyl 4-tert-butylbenzoate 260.94
    morpholine 842.24
    tert-butylamine 157.48
    n-dodecanol 49.88
    dimethoxymethane 718.45
    ethylene carbonate 464.45
    cyrene 184.35
    2-ethoxyethyl acetate 314.11
    2-ethylhexyl acetate 189.68
    1,2,4-trichlorobenzene 492.5
    4-methylpyridine 780.62
    dibutyl ether 108.97
    2,6-dimethyl-4-heptanol 91.47
    DEF 326.35
    dimethyl isosorbide 366.16
    tetrachloroethylene 617.27
    eugenol 237.1
    triacetin 243.83
    span 80 166.23
    1,4-butanediol 87.65
    1,1-dichloroethane 728.61
    2-methyl-1-pentanol 92.11
    methyl formate 479.0
    2-methyl-1-butanol 146.41
    n-decane 15.93
    butyronitrile 441.87
    3,7-dimethyl-1-octanol 100.73
    1-chlorooctane 73.26
    1-chlorotetradecane 30.89
    n-nonane 13.68
    undecane 11.87
    tert-butylcyclohexane 26.43
    cyclooctane 20.58
    cyclopentanol 250.43
    tetrahydropyran 659.87
    tert-amyl methyl ether 144.11
    2,5,8-trioxanonane 346.3
    1-hexene 64.81
    2-isopropoxyethanol 179.57
    2,2,2-trifluoroethanol 208.71
    methyl butyrate 260.99

    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