1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-

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  • Identifiers

    CAS number
    41724-19-0

    Molecular formula
    C12H18O

    SMILES
    CC1CC2C3CCC(C3)C2CC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 79.35%
    Fruity 70.22%
    Herbal 58.42%
    Fresh 46.59%
    Mint 39.77%
    Floral 39.66%
    Cedar 39.23%
    Green 36.76%
    Spicy 33.23%
    Camphoreous 33.08%

     

    Flavor
    Bitter 40.38%
    Herbal 27.45%
    Fruity 26.78%
    Animal 23.98%
    Fruit 23.31%
    Herb 22.97%
    Cedarleaf 22.5%
    Alkaline 22.48%
    Minty 22.02%
    Shrimp 22.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.73 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    283°C

    Flash point

    • 107.26 ˚C est.

  • Synonyms

    • 41724-19-0
    • Octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one
    • 5-methyltricyclo[6.2.1.02,7]undecan-4-one
    • 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-
    • EINECS 255-517-6
    • DTXSID1052088
    • 7-methyloctahydro-1,4-methanonaphthalen-6(2H)-one
    • SCHEMBL721372
    • DTXCID6030655
    • VWFXPROOUAWFEE-UHFFFAOYSA-N
    • STL373386
    • AKOS040894265
    • NS00013062
    • 255-517-6
    • Plicatone

  • Applications

    The compound 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl- (CAS number: 41724-19-0) is primarily used as an intermediate in organic synthesis, providing a bicyclic ketone scaffold for the preparation of pharmaceutical and agrochemical candidates. It is often evaluated as a building block in medicinal chemistry and the development of functionalized polycyclic libraries. In the fragrance and flavor sector, it may be used as a fragrance intermediate or odor precursor, contributing to specialized notes after derivatization. In polymer and plastics chemistry, it can serve as a starting material for the synthesis of functionalized monomers or crosslinkable intermediates. It may also find use in coatings and inks formulations as a chemical intermediate, and in research settings as a scaffold for asymmetric synthesis or library generation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 651.94
    methanol 675.68
    isopropanol 758.28
    water 9.4
    ethyl acetate 797.37
    n-propanol 598.36
    acetone 1032.77
    n-butanol 545.23
    acetonitrile 986.52
    DMF 882.61
    toluene 607.72
    isobutanol 456.86
    1,4-dioxane 1378.76
    methyl acetate 777.81
    THF 1372.07
    2-butanone 835.52
    n-pentanol 218.61
    sec-butanol 369.29
    n-hexane 20.05
    ethylene glycol 179.9
    NMP 376.46
    cyclohexane 73.09
    DMSO 547.79
    n-butyl acetate 482.89
    n-octanol 176.4
    chloroform 2791.54
    n-propyl acetate 371.72
    acetic acid 492.16
    dichloromethane 2112.51
    cyclohexanone 918.61
    propylene glycol 216.55
    isopropyl acetate 549.92
    DMAc 512.77
    2-ethoxyethanol 439.16
    isopentanol 451.58
    n-heptane 27.84
    ethyl formate 660.48
    1,2-dichloroethane 936.86
    n-hexanol 330.46
    2-methoxyethanol 887.65
    isobutyl acetate 258.94
    tetrachloromethane 373.27
    n-pentyl acetate 260.99
    transcutol 1315.29
    n-heptanol 185.35
    ethylbenzene 230.77
    MIBK 417.54
    2-propoxyethanol 674.54
    tert-butanol 643.63
    MTBE 450.22
    2-butoxyethanol 389.49
    propionic acid 472.15
    o-xylene 307.47
    formic acid 182.95
    diethyl ether 491.49
    m-xylene 379.76
    p-xylene 309.85
    chlorobenzene 714.57
    dimethyl carbonate 290.09
    n-octane 16.81
    formamide 336.94
    cyclopentanone 1042.9
    2-pentanone 639.62
    anisole 460.46
    cyclopentyl methyl ether 424.54
    gamma-butyrolactone 1133.52
    1-methoxy-2-propanol 735.52
    pyridine 1229.41
    3-pentanone 412.57
    furfural 1034.46
    n-dodecane 18.81
    diethylene glycol 517.82
    diisopropyl ether 161.63
    tert-amyl alcohol 286.04
    acetylacetone 778.3
    n-hexadecane 21.86
    acetophenone 387.84
    methyl propionate 515.01
    isopentyl acetate 434.54
    trichloroethylene 1881.56
    n-nonanol 157.01
    cyclohexanol 392.03
    benzyl alcohol 375.0
    2-ethylhexanol 177.11
    isooctanol 161.27
    dipropyl ether 209.34
    1,2-dichlorobenzene 570.52
    ethyl lactate 201.29
    propylene carbonate 702.19
    n-methylformamide 661.33
    2-pentanol 321.9
    n-pentane 39.41
    1-propoxy-2-propanol 458.49
    1-methoxy-2-propyl acetate 514.59
    2-(2-methoxypropoxy) propanol 320.17
    mesitylene 234.38
    ε-caprolactone 714.54
    p-cymene 154.61
    epichlorohydrin 1253.04
    1,1,1-trichloroethane 1012.58
    2-aminoethanol 322.2
    morpholine-4-carbaldehyde 737.84
    sulfolane 680.76
    2,2,4-trimethylpentane 22.2
    2-methyltetrahydrofuran 685.81
    n-hexyl acetate 351.25
    isooctane 29.26
    2-(2-butoxyethoxy)ethanol 452.29
    sec-butyl acetate 263.9
    tert-butyl acetate 442.74
    decalin 35.69
    glycerin 308.34
    diglyme 908.91
    acrylic acid 420.93
    isopropyl myristate 154.98
    n-butyric acid 752.53
    acetyl acetate 557.59
    di(2-ethylhexyl) phthalate 154.75
    ethyl propionate 336.38
    nitromethane 1102.31
    1,2-diethoxyethane 457.0
    benzonitrile 699.79
    trioctyl phosphate 108.44
    1-bromopropane 506.16
    gamma-valerolactone 1304.72
    n-decanol 117.24
    triethyl phosphate 134.96
    4-methyl-2-pentanol 230.79
    propionitrile 821.72
    vinylene carbonate 827.0
    1,1,2-trichlorotrifluoroethane 657.51
    DMS 345.84
    cumene 162.13
    2-octanol 126.5
    2-hexanone 320.52
    octyl acetate 180.33
    limonene 158.02
    1,2-dimethoxyethane 704.29
    ethyl orthosilicate 128.88
    tributyl phosphate 132.06
    diacetone alcohol 401.88
    N,N-dimethylaniline 243.76
    acrylonitrile 1010.31
    aniline 584.6
    1,3-propanediol 559.74
    bromobenzene 759.73
    dibromomethane 1276.32
    1,1,2,2-tetrachloroethane 1275.76
    2-methyl-cyclohexyl acetate 221.14
    tetrabutyl urea 149.66
    diisobutyl methanol 148.94
    2-phenylethanol 377.44
    styrene 280.74
    dioctyl adipate 187.87
    dimethyl sulfate 315.69
    ethyl butyrate 329.12
    methyl lactate 296.86
    butyl lactate 222.03
    diethyl carbonate 237.6
    propanediol butyl ether 311.61
    triethyl orthoformate 208.86
    p-tert-butyltoluene 148.44
    methyl 4-tert-butylbenzoate 313.57
    morpholine 1098.59
    tert-butylamine 367.7
    n-dodecanol 91.11
    dimethoxymethane 684.84
    ethylene carbonate 702.3
    cyrene 239.59
    2-ethoxyethyl acetate 413.8
    2-ethylhexyl acetate 283.79
    1,2,4-trichlorobenzene 581.46
    4-methylpyridine 1045.13
    dibutyl ether 199.52
    2,6-dimethyl-4-heptanol 148.94
    DEF 454.61
    dimethyl isosorbide 453.59
    tetrachloroethylene 825.98
    eugenol 323.37
    triacetin 354.9
    span 80 257.28
    1,4-butanediol 168.53
    1,1-dichloroethane 1237.77
    2-methyl-1-pentanol 195.97
    methyl formate 547.1
    2-methyl-1-butanol 316.88
    n-decane 28.86
    butyronitrile 744.53
    3,7-dimethyl-1-octanol 190.39
    1-chlorooctane 123.0
    1-chlorotetradecane 52.36
    n-nonane 25.13
    undecane 22.71
    tert-butylcyclohexane 32.54
    cyclooctane 26.88
    cyclopentanol 410.42
    tetrahydropyran 898.51
    tert-amyl methyl ether 212.39
    2,5,8-trioxanonane 514.59
    1-hexene 97.69
    2-isopropoxyethanol 319.29
    2,2,2-trifluoroethanol 281.85
    methyl butyrate 421.84

    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