2,6,6-Trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H12O2

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

  • Odor profile

    Caramellic 53.74%
    Sweet 45.36%
    Burnt 43.11%
    Mint 42.79%
    Tobacco 40.84%
    Roasted 37.87%
    Nutty 36.31%
    Woody 35.59%
    Herbal 30.69%
    Spicy 30.32%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point est.
    109.89 ˚C

  • Synonyms

    • 141891-13-6
    • 2,6,6-Trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde
    • DTXSID70577279
    • DTXCID80528050

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.38
    methanol 69.24
    isopropanol 29.24
    water 0.84
    ethyl acetate 89.78
    n-propanol 37.86
    acetone 78.68
    n-butanol 35.38
    acetonitrile 88.43
    DMF 167.27
    toluene 84.6
    isobutanol 22.42
    1,4-dioxane 244.34
    methyl acetate 88.09
    THF 326.49
    2-butanone 80.85
    n-pentanol 25.57
    sec-butanol 23.04
    n-hexane 9.11
    ethylene glycol 13.95
    NMP 154.68
    cyclohexane 11.32
    DMSO 104.21
    n-butyl acetate 63.21
    n-octanol 18.19
    chloroform 273.27
    n-propyl acetate 53.5
    acetic acid 55.2
    dichloromethane 250.31
    cyclohexanone 141.04
    propylene glycol 9.53
    isopropyl acetate 55.59
    DMAc 97.82
    2-ethoxyethanol 62.84
    isopentanol 32.24
    n-heptane 6.4
    ethyl formate 54.58
    1,2-dichloroethane 172.51
    n-hexanol 48.17
    2-methoxyethanol 105.51
    isobutyl acetate 33.26
    tetrachloromethane 55.72
    n-pentyl acetate 39.34
    transcutol 190.86
    n-heptanol 24.39
    ethylbenzene 47.49
    MIBK 57.04
    2-propoxyethanol 105.98
    tert-butanol 50.15
    MTBE 49.03
    2-butoxyethanol 52.01
    propionic acid 42.6
    o-xylene 54.83
    formic acid 40.38
    diethyl ether 86.55
    m-xylene 62.27
    p-xylene 53.24
    chlorobenzene 102.19
    dimethyl carbonate 57.18
    n-octane 2.86
    formamide 76.7
    cyclopentanone 202.98
    2-pentanone 74.99
    anisole 99.33
    cyclopentyl methyl ether 114.63
    gamma-butyrolactone 239.98
    1-methoxy-2-propanol 76.58
    pyridine 152.41
    3-pentanone 70.95
    furfural 191.59
    n-dodecane 2.21
    diethylene glycol 77.58
    diisopropyl ether 29.55
    tert-amyl alcohol 35.28
    acetylacetone 92.3
    n-hexadecane 2.68
    acetophenone 78.51
    methyl propionate 80.98
    isopentyl acetate 56.07
    trichloroethylene 289.92
    n-nonanol 18.81
    cyclohexanol 39.56
    benzyl alcohol 54.18
    2-ethylhexanol 28.61
    isooctanol 20.66
    dipropyl ether 44.78
    1,2-dichlorobenzene 105.11
    ethyl lactate 28.59
    propylene carbonate 97.29
    n-methylformamide 92.17
    2-pentanol 24.96
    n-pentane 7.3
    1-propoxy-2-propanol 63.09
    1-methoxy-2-propyl acetate 80.13
    2-(2-methoxypropoxy) propanol 58.02
    mesitylene 39.97
    ε-caprolactone 119.98
    p-cymene 26.44
    epichlorohydrin 263.72
    1,1,1-trichloroethane 159.24
    2-aminoethanol 25.51
    morpholine-4-carbaldehyde 185.81
    sulfolane 202.42
    2,2,4-trimethylpentane 4.17
    2-methyltetrahydrofuran 140.46
    n-hexyl acetate 51.38
    isooctane 4.67
    2-(2-butoxyethoxy)ethanol 70.64
    sec-butyl acetate 40.99
    tert-butyl acetate 71.05
    decalin 10.14
    glycerin 23.42
    diglyme 149.16
    acrylic acid 45.7
    isopropyl myristate 25.89
    n-butyric acid 57.29
    acetyl acetate 64.38
    di(2-ethylhexyl) phthalate 27.06
    ethyl propionate 60.28
    nitromethane 150.35
    1,2-diethoxyethane 72.05
    benzonitrile 80.34
    trioctyl phosphate 18.15
    1-bromopropane 78.74
    gamma-valerolactone 236.4
    n-decanol 14.14
    triethyl phosphate 37.82
    4-methyl-2-pentanol 21.91
    propionitrile 71.44
    vinylene carbonate 103.8
    1,1,2-trichlorotrifluoroethane 104.54
    DMS 72.55
    cumene 31.52
    2-octanol 14.91
    2-hexanone 54.69
    octyl acetate 28.96
    limonene 30.35
    1,2-dimethoxyethane 141.15
    ethyl orthosilicate 35.87
    tributyl phosphate 23.36
    diacetone alcohol 70.52
    N,N-dimethylaniline 65.43
    acrylonitrile 99.92
    aniline 77.78
    1,3-propanediol 42.7
    bromobenzene 108.49
    dibromomethane 160.67
    1,1,2,2-tetrachloroethane 199.63
    2-methyl-cyclohexyl acetate 52.8
    tetrabutyl urea 31.68
    diisobutyl methanol 21.47
    2-phenylethanol 67.68
    styrene 54.39
    dioctyl adipate 36.45
    dimethyl sulfate 86.78
    ethyl butyrate 54.38
    methyl lactate 37.08
    butyl lactate 29.99
    diethyl carbonate 45.27
    propanediol butyl ether 32.55
    triethyl orthoformate 43.04
    p-tert-butyltoluene 27.48
    methyl 4-tert-butylbenzoate 67.58
    morpholine 208.78
    tert-butylamine 32.52
    n-dodecanol 10.84
    dimethoxymethane 154.16
    ethylene carbonate 81.91
    cyrene 65.83
    2-ethoxyethyl acetate 65.47
    2-ethylhexyl acetate 47.87
    1,2,4-trichlorobenzene 111.32
    4-methylpyridine 132.47
    dibutyl ether 27.32
    2,6-dimethyl-4-heptanol 21.47
    DEF 78.4
    dimethyl isosorbide 134.09
    tetrachloroethylene 142.16
    eugenol 63.72
    triacetin 54.9
    span 80 39.7
    1,4-butanediol 15.22
    1,1-dichloroethane 139.86
    2-methyl-1-pentanol 26.39
    methyl formate 86.12
    2-methyl-1-butanol 25.21
    n-decane 3.8
    butyronitrile 58.86
    3,7-dimethyl-1-octanol 20.87
    1-chlorooctane 17.21
    1-chlorotetradecane 7.63
    n-nonane 3.32
    undecane 2.83
    tert-butylcyclohexane 9.37
    cyclooctane 4.88
    cyclopentanol 45.76
    tetrahydropyran 158.28
    tert-amyl methyl ether 43.34
    2,5,8-trioxanonane 103.6
    1-hexene 28.18
    2-isopropoxyethanol 44.69
    2,2,2-trifluoroethanol 38.21
    methyl butyrate 65.6

    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 0.11%