4,6,6-Trimethyl-3-oxocyclohexa-1,4-diene-1-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H12O2

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

  • Odor profile

    Sweet 62.06%
    Caramellic 59.96%
    Mint 47.13%
    Tobacco 45.49%
    Burnt 41.23%
    Woody 39.01%
    Nutty 36.71%
    Hay 35.57%
    Roasted 33.79%
    Spicy 33.69%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.78 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point est.
    115.51 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.63
    methanol 136.69
    isopropanol 74.16
    water 1.24
    ethyl acetate 290.76
    n-propanol 93.91
    acetone 311.56
    n-butanol 82.59
    acetonitrile 304.69
    DMF 491.23
    toluene 161.26
    isobutanol 58.11
    1,4-dioxane 396.51
    methyl acetate 296.52
    THF 717.13
    2-butanone 282.69
    n-pentanol 48.83
    sec-butanol 64.62
    n-hexane 6.67
    ethylene glycol 29.57
    NMP 462.74
    cyclohexane 9.31
    DMSO 271.91
    n-butyl acetate 134.47
    n-octanol 38.89
    chloroform 503.41
    n-propyl acetate 120.63
    acetic acid 119.27
    dichloromethane 538.96
    cyclohexanone 308.04
    propylene glycol 26.88
    isopropyl acetate 152.28
    DMAc 278.19
    2-ethoxyethanol 101.61
    isopentanol 70.39
    n-heptane 7.26
    ethyl formate 164.31
    1,2-dichloroethane 371.64
    n-hexanol 95.4
    2-methoxyethanol 218.0
    isobutyl acetate 71.68
    tetrachloromethane 69.22
    n-pentyl acetate 72.69
    transcutol 306.36
    n-heptanol 42.96
    ethylbenzene 66.21
    MIBK 126.26
    2-propoxyethanol 179.97
    tert-butanol 108.83
    MTBE 111.07
    2-butoxyethanol 91.85
    propionic acid 107.65
    o-xylene 82.3
    formic acid 72.15
    diethyl ether 157.87
    m-xylene 107.2
    p-xylene 81.83
    chlorobenzene 191.19
    dimethyl carbonate 136.7
    n-octane 3.96
    formamide 144.91
    cyclopentanone 575.85
    2-pentanone 229.51
    anisole 163.25
    cyclopentyl methyl ether 235.37
    gamma-butyrolactone 650.55
    1-methoxy-2-propanol 175.97
    pyridine 293.65
    3-pentanone 184.94
    furfural 396.37
    n-dodecane 3.35
    diethylene glycol 133.8
    diisopropyl ether 45.78
    tert-amyl alcohol 79.47
    acetylacetone 265.41
    n-hexadecane 3.98
    acetophenone 138.51
    methyl propionate 246.89
    isopentyl acetate 113.43
    trichloroethylene 651.98
    n-nonanol 36.46
    cyclohexanol 80.43
    benzyl alcohol 95.67
    2-ethylhexanol 51.91
    isooctanol 35.27
    dipropyl ether 67.05
    1,2-dichlorobenzene 164.24
    ethyl lactate 56.78
    propylene carbonate 274.6
    n-methylformamide 253.71
    2-pentanol 56.7
    n-pentane 6.71
    1-propoxy-2-propanol 109.46
    1-methoxy-2-propyl acetate 165.4
    2-(2-methoxypropoxy) propanol 94.46
    mesitylene 56.28
    ε-caprolactone 270.43
    p-cymene 39.6
    epichlorohydrin 670.23
    1,1,1-trichloroethane 307.19
    2-aminoethanol 53.42
    morpholine-4-carbaldehyde 362.54
    sulfolane 465.27
    2,2,4-trimethylpentane 5.52
    2-methyltetrahydrofuran 382.36
    n-hexyl acetate 106.94
    isooctane 5.56
    2-(2-butoxyethoxy)ethanol 120.26
    sec-butyl acetate 85.18
    tert-butyl acetate 155.74
    decalin 9.5
    glycerin 49.98
    diglyme 231.48
    acrylic acid 102.08
    isopropyl myristate 43.92
    n-butyric acid 147.71
    acetyl acetate 172.74
    di(2-ethylhexyl) phthalate 45.47
    ethyl propionate 128.4
    nitromethane 388.19
    1,2-diethoxyethane 112.93
    benzonitrile 149.5
    trioctyl phosphate 34.2
    1-bromopropane 161.55
    gamma-valerolactone 512.56
    n-decanol 27.66
    triethyl phosphate 53.46
    4-methyl-2-pentanol 42.3
    propionitrile 194.85
    vinylene carbonate 238.8
    1,1,2-trichlorotrifluoroethane 208.21
    DMS 131.78
    cumene 43.62
    2-octanol 29.2
    2-hexanone 112.68
    octyl acetate 55.1
    limonene 48.46
    1,2-dimethoxyethane 209.34
    ethyl orthosilicate 49.51
    tributyl phosphate 40.08
    diacetone alcohol 156.6
    N,N-dimethylaniline 92.77
    acrylonitrile 252.98
    aniline 145.9
    1,3-propanediol 93.28
    bromobenzene 199.86
    dibromomethane 316.23
    1,1,2,2-tetrachloroethane 375.53
    2-methyl-cyclohexyl acetate 80.02
    tetrabutyl urea 53.19
    diisobutyl methanol 35.08
    2-phenylethanol 117.42
    styrene 80.07
    dioctyl adipate 61.93
    dimethyl sulfate 201.04
    ethyl butyrate 97.55
    methyl lactate 94.0
    butyl lactate 56.78
    diethyl carbonate 70.69
    propanediol butyl ether 68.33
    triethyl orthoformate 62.11
    p-tert-butyltoluene 41.38
    methyl 4-tert-butylbenzoate 108.98
    morpholine 403.96
    tert-butylamine 61.35
    n-dodecanol 21.09
    dimethoxymethane 301.23
    ethylene carbonate 194.83
    cyrene 116.86
    2-ethoxyethyl acetate 120.81
    2-ethylhexyl acetate 85.93
    1,2,4-trichlorobenzene 183.42
    4-methylpyridine 314.21
    dibutyl ether 45.44
    2,6-dimethyl-4-heptanol 35.08
    DEF 203.26
    dimethyl isosorbide 226.0
    tetrachloroethylene 235.22
    eugenol 100.05
    triacetin 99.2
    span 80 67.81
    1,4-butanediol 27.57
    1,1-dichloroethane 351.23
    2-methyl-1-pentanol 49.2
    methyl formate 238.88
    2-methyl-1-butanol 58.99
    n-decane 5.55
    butyronitrile 165.42
    3,7-dimethyl-1-octanol 41.97
    1-chlorooctane 30.49
    1-chlorotetradecane 13.14
    n-nonane 5.04
    undecane 4.21
    tert-butylcyclohexane 9.85
    cyclooctane 4.22
    cyclopentanol 124.05
    tetrahydropyran 302.21
    tert-amyl methyl ether 90.04
    2,5,8-trioxanonane 149.84
    1-hexene 32.39
    2-isopropoxyethanol 78.01
    2,2,2-trifluoroethanol 79.12
    methyl butyrate 147.54

    Scent© AI

1 3

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
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 2.24%