2,2-Dimethyl-4-oxocyclohexane-1-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    92804-19-8

    Molecular formula
    C9H14O2

    SMILES
    CC1(CC(=O)CCC1C=O)C

  • Odor profile

    Mint 69.07%
    Herbal 64.29%
    Camphoreous 53.61%
    Woody 48.56%
    Fresh 43.36%
    Cooling 41.98%
    Green 39.99%
    Tobacco 33.44%
    Floral 30.21%
    Spicy 29.52%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    252°C

    Flash point est.
    100.48 ˚C

  • Synonyms

    • 141891-09-0
    • 2,2-Dimethyl-4-oxocyclohexane-1-carbaldehyde
    • Cyclohexanecarboxaldehyde, 2,2-dimethyl-4-oxo- (9CI)
    • DB-286340
    • Cyclohexanecarboxaldehyde, 2,2-dimethyl-4-oxo-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 336.07
    methanol 609.13
    isopropanol 203.57
    water 12.29
    ethyl acetate 300.22
    n-propanol 236.6
    acetone 403.05
    n-butanol 173.03
    acetonitrile 449.55
    DMF 439.14
    toluene 104.29
    isobutanol 131.95
    1,4-dioxane 597.73
    methyl acetate 320.63
    THF 844.64
    2-butanone 280.5
    n-pentanol 94.69
    sec-butanol 137.35
    n-hexane 11.23
    ethylene glycol 106.28
    NMP 525.09
    cyclohexane 21.49
    DMSO 326.37
    n-butyl acetate 167.85
    n-octanol 69.59
    chloroform 856.28
    n-propyl acetate 141.43
    acetic acid 717.37
    dichloromethane 622.57
    cyclohexanone 418.39
    propylene glycol 116.55
    isopropyl acetate 164.04
    DMAc 255.78
    2-ethoxyethanol 180.33
    isopentanol 118.57
    n-heptane 11.16
    ethyl formate 216.48
    1,2-dichloroethane 342.8
    n-hexanol 161.18
    2-methoxyethanol 376.67
    isobutyl acetate 92.68
    tetrachloromethane 103.87
    n-pentyl acetate 95.31
    transcutol 784.76
    n-heptanol 71.02
    ethylbenzene 51.68
    MIBK 134.21
    2-propoxyethanol 274.91
    tert-butanol 216.74
    MTBE 130.02
    2-butoxyethanol 137.44
    propionic acid 363.71
    o-xylene 74.71
    formic acid 418.76
    diethyl ether 193.54
    m-xylene 91.8
    p-xylene 78.77
    chlorobenzene 219.61
    dimethyl carbonate 114.74
    n-octane 4.72
    formamide 424.71
    cyclopentanone 549.97
    2-pentanone 206.19
    anisole 137.23
    cyclopentyl methyl ether 271.0
    gamma-butyrolactone 778.92
    1-methoxy-2-propanol 268.91
    pyridine 343.47
    3-pentanone 157.17
    furfural 532.13
    n-dodecane 4.55
    diethylene glycol 271.08
    diisopropyl ether 54.59
    tert-amyl alcohol 131.49
    acetylacetone 292.05
    n-hexadecane 5.28
    acetophenone 144.93
    methyl propionate 223.41
    isopentyl acetate 141.99
    trichloroethylene 726.27
    n-nonanol 60.4
    cyclohexanol 172.83
    benzyl alcohol 115.94
    2-ethylhexanol 77.87
    isooctanol 54.39
    dipropyl ether 87.83
    1,2-dichlorobenzene 193.93
    ethyl lactate 93.17
    propylene carbonate 377.53
    n-methylformamide 389.86
    2-pentanol 100.65
    n-pentane 12.56
    1-propoxy-2-propanol 174.18
    1-methoxy-2-propyl acetate 214.51
    2-(2-methoxypropoxy) propanol 154.7
    mesitylene 56.12
    ε-caprolactone 382.18
    p-cymene 44.42
    epichlorohydrin 589.13
    1,1,1-trichloroethane 366.93
    2-aminoethanol 183.54
    morpholine-4-carbaldehyde 466.55
    sulfolane 606.65
    2,2,4-trimethylpentane 8.27
    2-methyltetrahydrofuran 422.31
    n-hexyl acetate 152.4
    isooctane 8.14
    2-(2-butoxyethoxy)ethanol 210.27
    sec-butyl acetate 100.94
    tert-butyl acetate 172.44
    decalin 11.97
    glycerin 185.33
    diglyme 361.98
    acrylic acid 375.48
    isopropyl myristate 56.9
    n-butyric acid 330.92
    acetyl acetate 237.14
    di(2-ethylhexyl) phthalate 65.14
    ethyl propionate 135.51
    nitromethane 876.55
    1,2-diethoxyethane 178.1
    benzonitrile 198.49
    trioctyl phosphate 45.57
    1-bromopropane 167.06
    gamma-valerolactone 643.47
    n-decanol 43.63
    triethyl phosphate 68.04
    4-methyl-2-pentanol 65.66
    propionitrile 253.04
    vinylene carbonate 349.37
    1,1,2-trichlorotrifluoroethane 389.19
    DMS 172.06
    cumene 41.46
    2-octanol 43.56
    2-hexanone 133.36
    octyl acetate 74.7
    limonene 60.49
    1,2-dimethoxyethane 273.66
    ethyl orthosilicate 61.25
    tributyl phosphate 62.53
    diacetone alcohol 197.62
    N,N-dimethylaniline 84.91
    acrylonitrile 331.96
    aniline 179.57
    1,3-propanediol 211.12
    bromobenzene 194.92
    dibromomethane 359.7
    1,1,2,2-tetrachloroethane 512.54
    2-methyl-cyclohexyl acetate 107.84
    tetrabutyl urea 70.46
    diisobutyl methanol 47.81
    2-phenylethanol 146.47
    styrene 63.08
    dioctyl adipate 89.42
    dimethyl sulfate 178.55
    ethyl butyrate 121.29
    methyl lactate 139.21
    butyl lactate 93.71
    diethyl carbonate 95.36
    propanediol butyl ether 140.02
    triethyl orthoformate 87.43
    p-tert-butyltoluene 43.73
    methyl 4-tert-butylbenzoate 132.58
    morpholine 562.66
    tert-butylamine 114.95
    n-dodecanol 32.67
    dimethoxymethane 265.83
    ethylene carbonate 280.59
    cyrene 149.97
    2-ethoxyethyl acetate 162.99
    2-ethylhexyl acetate 106.19
    1,2,4-trichlorobenzene 237.96
    4-methylpyridine 289.33
    dibutyl ether 65.87
    2,6-dimethyl-4-heptanol 47.81
    DEF 206.39
    dimethyl isosorbide 277.72
    tetrachloroethylene 320.87
    eugenol 123.93
    triacetin 176.89
    span 80 137.18
    1,4-butanediol 72.54
    1,1-dichloroethane 403.91
    2-methyl-1-pentanol 71.11
    methyl formate 330.73
    2-methyl-1-butanol 108.52
    n-decane 7.71
    butyronitrile 205.49
    3,7-dimethyl-1-octanol 70.92
    1-chlorooctane 42.37
    1-chlorotetradecane 16.21
    n-nonane 6.88
    undecane 5.71
    tert-butylcyclohexane 11.59
    cyclooctane 7.4
    cyclopentanol 213.1
    tetrahydropyran 404.35
    tert-amyl methyl ether 92.4
    2,5,8-trioxanonane 239.61
    1-hexene 48.29
    2-isopropoxyethanol 122.01
    2,2,2-trifluoroethanol 298.61
    methyl butyrate 162.48

    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

Botanical

Name CAS Botanical Proportion
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 1.4%