1,3-Methanonaphthalen-7(1H)-one, 2,3,4,4a,5,6-hexahydro-2,2-dimethyl-, (1R,3S,4aR)-

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  • Identifiers

    CAS number
    68433-81-8

    Molecular formula
    C13H18O

    SMILES
    CC1([C@H]2CC1CC3C2=CC(=O)CC3)C

  • Odor profile

    Fragrance
    Woody 80.07%
    Camphoreous 50.19%
    Spicy 49.98%
    Mint 49.61%
    Herbal 47.67%
    Cedar 45.88%
    Sweet 40.48%
    Fresh 40.36%
    Fruity 39.85%
    Pine 38.28%

     

    Flavor
    Bitter 30.0%
    Minty 29.73%
    Fresh 28.4%
    Spice 24.47%
    Herbal 24.35%
    Spicy 23.06%
    Camphor 22.33%
    Cedarleaf 21.83%
    Woody 21.51%
    Ripe apricot 21.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.42 (weak base)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    305°C

    Flash point

    • 106.54 ˚C est.

  • Synonyms

    • EINECS 270-397-5
    • cis-Tricyclo(7.1.1.02,7)undec-2-en-one, 10,10-dimethyl-
    • 1,3-Methanonaphthalen-7(1H)-one, 2,3,4,4a,5,6-hexahydro-2,2-dimethyl-, (1R,3S,4aR)-
    • 68433-81-8
    • SCHEMBL17627623
    • OEFUEUWVTAXZDS-KWPJZBAWSA-N
    • NS00022685
    • (1R-(1alpha,3alpha,4aalpha))-2,3,4,4a,5,6-hexahydro-2,2-dimethyl-1,3-methanonaphthalen-7(1H)-one

  • Applications

    1,3-Methanonaphthalen-7(1H)-one, 2,3,4,4a,5,6-hexahydro-2,2-dimethyl-, (1R,3S,4aR)- (CAS 68433-81-8) is a bicyclic ketone with a camphor-like framework that commonly serves as an intermediate in organic synthesis and may function as a fragrance ingredient or fragrance synthesis intermediate; in real-world use, it can act as a fragrance component or starting material in fragrance and personal care products, provides a chiral building block for pharmaceutical and agrochemical synthesis, and can serve as a scaffold in the industrial manufacturing of specialty chemicals; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 175.26
    methanol 125.09
    isopropanol 199.91
    water 1.45
    ethyl acetate 359.46
    n-propanol 192.47
    acetone 504.44
    n-butanol 172.61
    acetonitrile 385.43
    DMF 541.55
    toluene 348.69
    isobutanol 146.13
    1,4-dioxane 649.53
    methyl acetate 397.56
    THF 832.86
    2-butanone 421.76
    n-pentanol 68.97
    sec-butanol 114.31
    n-hexane 7.37
    ethylene glycol 46.92
    NMP 273.55
    cyclohexane 36.19
    DMSO 244.8
    n-butyl acetate 215.46
    n-octanol 66.58
    chloroform 1083.65
    n-propyl acetate 156.93
    acetic acid 132.56
    dichloromethane 877.63
    cyclohexanone 466.9
    propylene glycol 64.4
    isopropyl acetate 222.7
    DMAc 325.32
    2-ethoxyethanol 118.72
    isopentanol 141.56
    n-heptane 13.74
    ethyl formate 229.75
    1,2-dichloroethane 459.03
    n-hexanol 139.58
    2-methoxyethanol 295.57
    isobutyl acetate 107.9
    tetrachloromethane 123.18
    n-pentyl acetate 120.06
    transcutol 504.94
    n-heptanol 72.03
    ethylbenzene 118.44
    MIBK 189.44
    2-propoxyethanol 265.71
    tert-butanol 191.68
    MTBE 184.34
    2-butoxyethanol 141.62
    propionic acid 154.24
    o-xylene 176.77
    formic acid 42.64
    diethyl ether 205.94
    m-xylene 214.13
    p-xylene 162.88
    chlorobenzene 333.07
    dimethyl carbonate 170.2
    n-octane 7.41
    formamide 107.81
    cyclopentanone 654.99
    2-pentanone 303.46
    anisole 216.64
    cyclopentyl methyl ether 247.02
    gamma-butyrolactone 625.29
    1-methoxy-2-propanol 268.24
    pyridine 537.71
    3-pentanone 250.26
    furfural 453.97
    n-dodecane 8.11
    diethylene glycol 198.83
    diisopropyl ether 73.9
    tert-amyl alcohol 101.97
    acetylacetone 355.16
    n-hexadecane 9.69
    acetophenone 191.69
    methyl propionate 298.61
    isopentyl acetate 199.3
    trichloroethylene 873.27
    n-nonanol 64.55
    cyclohexanol 152.31
    benzyl alcohol 151.61
    2-ethylhexanol 84.73
    isooctanol 61.68
    dipropyl ether 106.44
    1,2-dichlorobenzene 273.25
    ethyl lactate 85.62
    propylene carbonate 311.42
    n-methylformamide 274.22
    2-pentanol 101.42
    n-pentane 15.01
    1-propoxy-2-propanol 197.06
    1-methoxy-2-propyl acetate 268.86
    2-(2-methoxypropoxy) propanol 153.09
    mesitylene 122.23
    ε-caprolactone 348.64
    p-cymene 81.77
    epichlorohydrin 665.79
    1,1,1-trichloroethane 463.43
    2-aminoethanol 91.98
    morpholine-4-carbaldehyde 372.33
    sulfolane 370.52
    2,2,4-trimethylpentane 9.79
    2-methyltetrahydrofuran 407.56
    n-hexyl acetate 167.57
    isooctane 11.28
    2-(2-butoxyethoxy)ethanol 197.34
    sec-butyl acetate 118.51
    tert-butyl acetate 207.49
    decalin 18.26
    glycerin 88.64
    diglyme 366.69
    acrylic acid 144.26
    isopropyl myristate 79.1
    n-butyric acid 233.14
    acetyl acetate 232.34
    di(2-ethylhexyl) phthalate 83.33
    ethyl propionate 160.72
    nitromethane 398.01
    1,2-diethoxyethane 207.94
    benzonitrile 273.47
    trioctyl phosphate 59.12
    1-bromopropane 245.78
    gamma-valerolactone 638.19
    n-decanol 51.1
    triethyl phosphate 76.64
    4-methyl-2-pentanol 80.02
    propionitrile 322.3
    vinylene carbonate 349.79
    1,1,2-trichlorotrifluoroethane 265.16
    DMS 211.46
    cumene 76.02
    2-octanol 48.85
    2-hexanone 149.94
    octyl acetate 93.86
    limonene 97.13
    1,2-dimethoxyethane 253.96
    ethyl orthosilicate 70.88
    tributyl phosphate 72.19
    diacetone alcohol 200.03
    N,N-dimethylaniline 120.71
    acrylonitrile 411.36
    aniline 276.81
    1,3-propanediol 164.06
    bromobenzene 341.71
    dibromomethane 510.88
    1,1,2,2-tetrachloroethane 561.32
    2-methyl-cyclohexyl acetate 127.05
    tetrabutyl urea 85.68
    diisobutyl methanol 64.32
    2-phenylethanol 187.05
    styrene 135.72
    dioctyl adipate 100.0
    dimethyl sulfate 187.44
    ethyl butyrate 157.75
    methyl lactate 145.24
    butyl lactate 105.91
    diethyl carbonate 119.62
    propanediol butyl ether 120.16
    triethyl orthoformate 103.69
    p-tert-butyltoluene 81.7
    methyl 4-tert-butylbenzoate 162.17
    morpholine 553.49
    tert-butylamine 119.4
    n-dodecanol 41.34
    dimethoxymethane 373.68
    ethylene carbonate 287.88
    cyrene 135.69
    2-ethoxyethyl acetate 203.73
    2-ethylhexyl acetate 149.56
    1,2,4-trichlorobenzene 296.56
    4-methylpyridine 509.59
    dibutyl ether 79.14
    2,6-dimethyl-4-heptanol 64.32
    DEF 242.62
    dimethyl isosorbide 270.36
    tetrachloroethylene 325.94
    eugenol 149.34
    triacetin 181.77
    span 80 124.61
    1,4-butanediol 47.39
    1,1-dichloroethane 538.39
    2-methyl-1-pentanol 68.42
    methyl formate 239.09
    2-methyl-1-butanol 109.83
    n-decane 12.24
    butyronitrile 286.28
    3,7-dimethyl-1-octanol 80.26
    1-chlorooctane 52.93
    1-chlorotetradecane 25.11
    n-nonane 10.33
    undecane 9.82
    tert-butylcyclohexane 16.27
    cyclooctane 12.76
    cyclopentanol 168.39
    tetrahydropyran 482.13
    tert-amyl methyl ether 106.96
    2,5,8-trioxanonane 231.5
    1-hexene 39.55
    2-isopropoxyethanol 100.77
    2,2,2-trifluoroethanol 87.88
    methyl butyrate 182.85

    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