4,6,6-Trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H12O2

    SMILES
    CC1=CC=C(C(C1=O)(C)C)C=O

  • Odor profile

    Caramellic 55.29%
    Sweet 48.38%
    Burnt 44.17%
    Mint 41.92%
    Tobacco 39.71%
    Nutty 37.24%
    Roasted 37.11%
    Woody 33.39%
    Herbal 30.65%
    Hay 29.92%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.65 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point est.
    109.02 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 127.8
    methanol 170.8
    isopropanol 84.98
    water 1.96
    ethyl acetate 405.94
    n-propanol 108.79
    acetone 466.31
    n-butanol 97.5
    acetonitrile 451.12
    DMF 678.79
    toluene 358.91
    isobutanol 73.45
    1,4-dioxane 702.2
    methyl acetate 396.5
    THF 1279.79
    2-butanone 373.41
    n-pentanol 70.11
    sec-butanol 77.56
    n-hexane 22.33
    ethylene glycol 33.83
    NMP 763.33
    cyclohexane 37.56
    DMSO 415.33
    n-butyl acetate 201.96
    n-octanol 49.51
    chloroform 955.31
    n-propyl acetate 205.14
    acetic acid 219.91
    dichloromethane 1110.54
    cyclohexanone 582.55
    propylene glycol 26.39
    isopropyl acetate 234.76
    DMAc 363.82
    2-ethoxyethanol 164.89
    isopentanol 87.58
    n-heptane 17.47
    ethyl formate 234.42
    1,2-dichloroethane 726.1
    n-hexanol 107.41
    2-methoxyethanol 274.35
    isobutyl acetate 116.86
    tetrachloromethane 206.01
    n-pentyl acetate 132.51
    transcutol 503.8
    n-heptanol 58.26
    ethylbenzene 145.43
    MIBK 196.21
    2-propoxyethanol 231.58
    tert-butanol 135.88
    MTBE 184.11
    2-butoxyethanol 123.45
    propionic acid 161.47
    o-xylene 169.74
    formic acid 124.77
    diethyl ether 305.12
    m-xylene 225.26
    p-xylene 175.0
    chlorobenzene 388.76
    dimethyl carbonate 232.39
    n-octane 8.25
    formamide 275.51
    cyclopentanone 1024.42
    2-pentanone 341.81
    anisole 297.81
    cyclopentyl methyl ether 485.09
    gamma-butyrolactone 1177.41
    1-methoxy-2-propanol 203.8
    pyridine 594.28
    3-pentanone 291.72
    furfural 750.83
    n-dodecane 6.13
    diethylene glycol 167.35
    diisopropyl ether 99.66
    tert-amyl alcohol 104.22
    acetylacetone 427.24
    n-hexadecane 7.48
    acetophenone 257.7
    methyl propionate 360.42
    isopentyl acetate 178.54
    trichloroethylene 1360.98
    n-nonanol 48.78
    cyclohexanol 135.29
    benzyl alcohol 160.08
    2-ethylhexanol 68.72
    isooctanol 49.32
    dipropyl ether 119.66
    1,2-dichlorobenzene 351.6
    ethyl lactate 80.39
    propylene carbonate 455.59
    n-methylformamide 378.86
    2-pentanol 76.61
    n-pentane 20.8
    1-propoxy-2-propanol 142.58
    1-methoxy-2-propyl acetate 254.65
    2-(2-methoxypropoxy) propanol 131.57
    mesitylene 127.43
    ε-caprolactone 480.61
    p-cymene 69.29
    epichlorohydrin 1191.8
    1,1,1-trichloroethane 722.48
    2-aminoethanol 61.2
    morpholine-4-carbaldehyde 667.16
    sulfolane 923.5
    2,2,4-trimethylpentane 12.56
    2-methyltetrahydrofuran 652.25
    n-hexyl acetate 178.91
    isooctane 13.28
    2-(2-butoxyethoxy)ethanol 177.97
    sec-butyl acetate 141.71
    tert-butyl acetate 256.86
    decalin 26.25
    glycerin 60.76
    diglyme 385.11
    acrylic acid 178.85
    isopropyl myristate 70.81
    n-butyric acid 207.15
    acetyl acetate 285.47
    di(2-ethylhexyl) phthalate 68.56
    ethyl propionate 208.66
    nitromethane 721.49
    1,2-diethoxyethane 210.51
    benzonitrile 297.28
    trioctyl phosphate 48.12
    1-bromopropane 281.48
    gamma-valerolactone 933.32
    n-decanol 36.13
    triethyl phosphate 88.64
    4-methyl-2-pentanol 54.82
    propionitrile 283.6
    vinylene carbonate 441.85
    1,1,2-trichlorotrifluoroethane 361.94
    DMS 244.66
    cumene 85.22
    2-octanol 40.24
    2-hexanone 191.14
    octyl acetate 86.76
    limonene 84.27
    1,2-dimethoxyethane 349.65
    ethyl orthosilicate 82.82
    tributyl phosphate 61.89
    diacetone alcohol 206.87
    N,N-dimethylaniline 164.86
    acrylonitrile 398.65
    aniline 259.4
    1,3-propanediol 103.39
    bromobenzene 431.2
    dibromomethane 601.95
    1,1,2,2-tetrachloroethane 738.29
    2-methyl-cyclohexyl acetate 132.98
    tetrabutyl urea 79.92
    diisobutyl methanol 49.0
    2-phenylethanol 169.26
    styrene 180.69
    dioctyl adipate 98.06
    dimethyl sulfate 344.06
    ethyl butyrate 159.33
    methyl lactate 121.77
    butyl lactate 81.93
    diethyl carbonate 117.09
    propanediol butyl ether 86.8
    triethyl orthoformate 107.35
    p-tert-butyltoluene 70.95
    methyl 4-tert-butylbenzoate 179.95
    morpholine 644.4
    tert-butylamine 85.92
    n-dodecanol 27.32
    dimethoxymethane 489.48
    ethylene carbonate 347.58
    cyrene 173.41
    2-ethoxyethyl acetate 220.05
    2-ethylhexyl acetate 142.46
    1,2,4-trichlorobenzene 381.61
    4-methylpyridine 590.6
    dibutyl ether 85.37
    2,6-dimethyl-4-heptanol 49.0
    DEF 334.55
    dimethyl isosorbide 351.43
    tetrachloroethylene 538.62
    eugenol 155.65
    triacetin 181.91
    span 80 98.39
    1,4-butanediol 36.7
    1,1-dichloroethane 652.58
    2-methyl-1-pentanol 70.84
    methyl formate 363.05
    2-methyl-1-butanol 76.92
    n-decane 10.75
    butyronitrile 230.33
    3,7-dimethyl-1-octanol 52.98
    1-chlorooctane 52.93
    1-chlorotetradecane 20.98
    n-nonane 9.75
    undecane 8.0
    tert-butylcyclohexane 22.7
    cyclooctane 15.44
    cyclopentanol 183.97
    tetrahydropyran 558.27
    tert-amyl methyl ether 146.35
    2,5,8-trioxanonane 237.29
    1-hexene 73.41
    2-isopropoxyethanol 119.54
    2,2,2-trifluoroethanol 146.17
    methyl butyrate 238.47

    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 leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.39%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.99%