2,6,6-Trimethyl-3-oxocyclohexa-1,4-diene-1-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H12O2

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

  • Odor profile

    Caramellic 60.41%
    Sweet 59.51%
    Tobacco 46.94%
    Mint 44.96%
    Burnt 42.43%
    Woody 40.67%
    Nutty 35.34%
    Hay 34.15%
    Roasted 33.03%
    Spicy 31.67%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point est.
    116.4 ˚C

  • Synonyms

    • 2,6,6-Trimethyl-3-oxocyclohexa-1,4-diene-1-carbaldehyde
    • 33399-09-6
    • DTXSID10577278
    • DTXCID70528049

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.54
    methanol 67.53
    isopropanol 29.64
    water 0.8
    ethyl acetate 83.21
    n-propanol 37.53
    acetone 75.7
    n-butanol 34.66
    acetonitrile 81.78
    DMF 169.79
    toluene 67.51
    isobutanol 21.77
    1,4-dioxane 201.66
    methyl acetate 83.61
    THF 264.84
    2-butanone 74.09
    n-pentanol 23.46
    sec-butanol 21.32
    n-hexane 5.11
    ethylene glycol 13.86
    NMP 127.54
    cyclohexane 6.72
    DMSO 101.33
    n-butyl acetate 57.07
    n-octanol 17.7
    chloroform 225.65
    n-propyl acetate 44.12
    acetic acid 47.25
    dichloromethane 202.53
    cyclohexanone 114.97
    propylene glycol 9.88
    isopropyl acetate 48.56
    DMAc 94.04
    2-ethoxyethanol 51.79
    isopentanol 30.12
    n-heptane 4.02
    ethyl formate 50.19
    1,2-dichloroethane 142.36
    n-hexanol 48.6
    2-methoxyethanol 100.67
    isobutyl acetate 28.5
    tetrachloromethane 37.23
    n-pentyl acetate 32.85
    transcutol 163.89
    n-heptanol 23.06
    ethylbenzene 35.39
    MIBK 48.5
    2-propoxyethanol 96.9
    tert-butanol 48.22
    MTBE 40.18
    2-butoxyethanol 47.75
    propionic acid 37.1
    o-xylene 42.92
    formic acid 34.75
    diethyl ether 68.99
    m-xylene 51.65
    p-xylene 42.01
    chlorobenzene 85.66
    dimethyl carbonate 47.33
    n-octane 2.06
    formamide 62.64
    cyclopentanone 165.39
    2-pentanone 67.58
    anisole 77.36
    cyclopentyl methyl ether 91.19
    gamma-butyrolactone 192.9
    1-methoxy-2-propanol 73.53
    pyridine 127.87
    3-pentanone 60.33
    furfural 151.64
    n-dodecane 1.73
    diethylene glycol 73.13
    diisopropyl ether 20.96
    tert-amyl alcohol 31.12
    acetylacetone 79.77
    n-hexadecane 2.08
    acetophenone 61.38
    methyl propionate 73.33
    isopentyl acetate 50.8
    trichloroethylene 235.27
    n-nonanol 18.07
    cyclohexanol 34.29
    benzyl alcohol 44.42
    2-ethylhexanol 26.19
    isooctanol 18.97
    dipropyl ether 34.52
    1,2-dichlorobenzene 81.32
    ethyl lactate 25.67
    propylene carbonate 82.92
    n-methylformamide 85.03
    2-pentanol 22.9
    n-pentane 4.19
    1-propoxy-2-propanol 58.42
    1-methoxy-2-propyl acetate 71.91
    2-(2-methoxypropoxy) propanol 51.03
    mesitylene 30.58
    ε-caprolactone 95.94
    p-cymene 21.29
    epichlorohydrin 216.52
    1,1,1-trichloroethane 120.28
    2-aminoethanol 25.35
    morpholine-4-carbaldehyde 153.1
    sulfolane 168.63
    2,2,4-trimethylpentane 2.78
    2-methyltetrahydrofuran 115.47
    n-hexyl acetate 44.76
    isooctane 3.14
    2-(2-butoxyethoxy)ethanol 60.33
    sec-butyl acetate 32.94
    tert-butyl acetate 60.38
    decalin 6.45
    glycerin 22.57
    diglyme 121.13
    acrylic acid 38.73
    isopropyl myristate 21.98
    n-butyric acid 53.21
    acetyl acetate 55.29
    di(2-ethylhexyl) phthalate 23.69
    ethyl propionate 49.46
    nitromethane 126.12
    1,2-diethoxyethane 55.86
    benzonitrile 63.12
    trioctyl phosphate 16.46
    1-bromopropane 65.49
    gamma-valerolactone 187.47
    n-decanol 13.41
    triethyl phosphate 30.83
    4-methyl-2-pentanol 19.31
    propionitrile 64.41
    vinylene carbonate 86.26
    1,1,2-trichlorotrifluoroethane 88.08
    DMS 58.84
    cumene 24.28
    2-octanol 14.04
    2-hexanone 46.03
    octyl acetate 25.53
    limonene 24.86
    1,2-dimethoxyethane 115.98
    ethyl orthosilicate 29.04
    tributyl phosphate 20.72
    diacetone alcohol 66.19
    N,N-dimethylaniline 51.76
    acrylonitrile 87.17
    aniline 64.9
    1,3-propanediol 41.42
    bromobenzene 86.72
    dibromomethane 133.68
    1,1,2,2-tetrachloroethane 159.8
    2-methyl-cyclohexyl acetate 43.02
    tetrabutyl urea 28.9
    diisobutyl methanol 18.92
    2-phenylethanol 60.98
    styrene 39.34
    dioctyl adipate 30.49
    dimethyl sulfate 72.32
    ethyl butyrate 45.45
    methyl lactate 34.69
    butyl lactate 26.92
    diethyl carbonate 37.41
    propanediol butyl ether 30.34
    triethyl orthoformate 34.68
    p-tert-butyltoluene 22.3
    methyl 4-tert-butylbenzoate 56.97
    morpholine 182.04
    tert-butylamine 28.15
    n-dodecanol 10.21
    dimethoxymethane 135.36
    ethylene carbonate 69.27
    cyrene 57.2
    2-ethoxyethyl acetate 52.32
    2-ethylhexyl acetate 40.98
    1,2,4-trichlorobenzene 86.19
    4-methylpyridine 111.86
    dibutyl ether 21.65
    2,6-dimethyl-4-heptanol 18.92
    DEF 67.41
    dimethyl isosorbide 112.12
    tetrachloroethylene 109.97
    eugenol 54.01
    triacetin 44.97
    span 80 34.92
    1,4-butanediol 13.41
    1,1-dichloroethane 117.2
    2-methyl-1-pentanol 23.18
    methyl formate 79.29
    2-methyl-1-butanol 23.31
    n-decane 2.93
    butyronitrile 55.63
    3,7-dimethyl-1-octanol 19.99
    1-chlorooctane 14.53
    1-chlorotetradecane 6.5
    n-nonane 2.5
    undecane 2.2
    tert-butylcyclohexane 6.33
    cyclooctane 2.8
    cyclopentanol 40.34
    tetrahydropyran 133.37
    tert-amyl methyl ether 34.34
    2,5,8-trioxanonane 85.95
    1-hexene 19.6
    2-isopropoxyethanol 38.01
    2,2,2-trifluoroethanol 33.56
    methyl butyrate 54.55

    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 1.34%