3-Formyl-4,4,6-trimethylcyclohexa-2,5-dienol

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  • Identifiers

    CAS number
    55568-77-9

    Molecular formula
    C10H14O2

    SMILES
    CC1=CC(C(=CC1O)C=O)(C)C

  • Odor profile

    Fragrance
    Woody 45.84%
    Sweet 45.84%
    Mint 44.18%
    Spicy 41.77%
    Herbal 37.56%
    Tobacco 31.72%
    Caramellic 28.74%
    Floral 28.65%
    Camphoreous 27.49%
    Hay 26.76%

     

    Flavor
    Sweet 48.07%
    Spicy 37.01%
    Minty 32.96%
    Spice 32.03%
    Tobacco 31.65%
    Woody 29.87%
    Herbal 28.11%
    Maple 26.11%
    Phenolic 25.99%
    Mint 25.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.83 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 126.13 ˚C est.

  • Synonyms

    • 3-Formyl-4,4,6-trimethylcyclohexa-2,5-dienol

  • Applications

    3-Formyl-4,4,6-trimethylcyclohexa-2,5-dienol (CAS 55568-77-9) is typically used as a reactive intermediate and building block in chemical manufacturing. In perfumery and cosmetics, it may serve as an odorant or as a precursor to more complex aroma compounds. It also finds utility as an intermediate in the synthesis of specialty chemicals for polymer and resin formulations. In broader industrial manufacturing, it can function as a building block for reactive monomers or blends used in coatings and inks. Additionally, as an aldehyde-containing cyclic diene, it may be explored as a fragrance component for household products and cleaners, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 148.76
    methanol 188.6
    isopropanol 102.82
    water 2.56
    ethyl acetate 143.77
    n-propanol 119.84
    acetone 162.08
    n-butanol 90.98
    acetonitrile 159.39
    DMF 243.56
    toluene 59.01
    isobutanol 64.5
    1,4-dioxane 275.31
    methyl acetate 147.18
    THF 507.22
    2-butanone 153.65
    n-pentanol 47.95
    sec-butanol 65.66
    n-hexane 3.38
    ethylene glycol 38.62
    NMP 176.44
    cyclohexane 4.2
    DMSO 196.12
    n-butyl acetate 78.28
    n-octanol 41.13
    chloroform 208.16
    n-propyl acetate 65.18
    acetic acid 90.59
    dichloromethane 191.58
    cyclohexanone 154.47
    propylene glycol 34.08
    isopropyl acetate 80.76
    DMAc 129.81
    2-ethoxyethanol 100.74
    isopentanol 65.59
    n-heptane 5.04
    ethyl formate 92.12
    1,2-dichloroethane 138.2
    n-hexanol 98.89
    2-methoxyethanol 205.96
    isobutyl acetate 40.75
    tetrachloromethane 34.78
    n-pentyl acetate 46.16
    transcutol 203.99
    n-heptanol 46.36
    ethylbenzene 30.72
    MIBK 74.39
    2-propoxyethanol 166.14
    tert-butanol 119.34
    MTBE 76.88
    2-butoxyethanol 84.45
    propionic acid 80.27
    o-xylene 39.11
    formic acid 67.55
    diethyl ether 102.67
    m-xylene 50.58
    p-xylene 39.48
    chlorobenzene 74.6
    dimethyl carbonate 60.44
    n-octane 3.23
    formamide 95.92
    cyclopentanone 286.23
    2-pentanone 123.34
    anisole 79.02
    cyclopentyl methyl ether 137.75
    gamma-butyrolactone 325.58
    1-methoxy-2-propanol 156.5
    pyridine 136.37
    3-pentanone 89.28
    furfural 190.85
    n-dodecane 2.68
    diethylene glycol 129.49
    diisopropyl ether 26.92
    tert-amyl alcohol 74.77
    acetylacetone 126.19
    n-hexadecane 3.08
    acetophenone 69.09
    methyl propionate 117.59
    isopentyl acetate 68.19
    trichloroethylene 229.64
    n-nonanol 37.11
    cyclohexanol 58.12
    benzyl alcohol 54.57
    2-ethylhexanol 45.16
    isooctanol 35.14
    dipropyl ether 49.91
    1,2-dichlorobenzene 66.75
    ethyl lactate 39.71
    propylene carbonate 131.53
    n-methylformamide 153.79
    2-pentanol 54.98
    n-pentane 3.79
    1-propoxy-2-propanol 97.76
    1-methoxy-2-propyl acetate 98.44
    2-(2-methoxypropoxy) propanol 66.68
    mesitylene 30.59
    ε-caprolactone 133.35
    p-cymene 24.92
    epichlorohydrin 304.32
    1,1,1-trichloroethane 120.41
    2-aminoethanol 68.96
    morpholine-4-carbaldehyde 186.98
    sulfolane 250.31
    2,2,4-trimethylpentane 3.84
    2-methyltetrahydrofuran 210.91
    n-hexyl acetate 67.49
    isooctane 4.07
    2-(2-butoxyethoxy)ethanol 93.3
    sec-butyl acetate 46.39
    tert-butyl acetate 87.43
    decalin 4.99
    glycerin 59.14
    diglyme 158.0
    acrylic acid 69.08
    isopropyl myristate 28.5
    n-butyric acid 105.38
    acetyl acetate 78.41
    di(2-ethylhexyl) phthalate 29.67
    ethyl propionate 65.65
    nitromethane 196.54
    1,2-diethoxyethane 73.18
    benzonitrile 70.12
    trioctyl phosphate 24.86
    1-bromopropane 73.5
    gamma-valerolactone 276.59
    n-decanol 27.57
    triethyl phosphate 33.7
    4-methyl-2-pentanol 38.89
    propionitrile 121.87
    vinylene carbonate 112.73
    1,1,2-trichlorotrifluoroethane 124.44
    DMS 65.33
    cumene 24.84
    2-octanol 29.97
    2-hexanone 63.32
    octyl acetate 36.55
    limonene 31.53
    1,2-dimethoxyethane 151.95
    ethyl orthosilicate 32.25
    tributyl phosphate 26.63
    diacetone alcohol 107.34
    N,N-dimethylaniline 51.76
    acrylonitrile 134.87
    aniline 74.42
    1,3-propanediol 104.24
    bromobenzene 68.58
    dibromomethane 123.71
    1,1,2,2-tetrachloroethane 151.15
    2-methyl-cyclohexyl acetate 50.77
    tetrabutyl urea 35.24
    diisobutyl methanol 28.87
    2-phenylethanol 76.84
    styrene 33.15
    dioctyl adipate 37.69
    dimethyl sulfate 93.48
    ethyl butyrate 58.11
    methyl lactate 59.66
    butyl lactate 41.7
    diethyl carbonate 41.51
    propanediol butyl ether 61.34
    triethyl orthoformate 40.29
    p-tert-butyltoluene 26.08
    methyl 4-tert-butylbenzoate 70.23
    morpholine 281.14
    tert-butylamine 59.43
    n-dodecanol 20.28
    dimethoxymethane 174.67
    ethylene carbonate 92.8
    cyrene 77.56
    2-ethoxyethyl acetate 69.53
    2-ethylhexyl acetate 50.81
    1,2,4-trichlorobenzene 75.41
    4-methylpyridine 123.79
    dibutyl ether 31.79
    2,6-dimethyl-4-heptanol 28.87
    DEF 97.16
    dimethyl isosorbide 131.04
    tetrachloroethylene 100.25
    eugenol 67.12
    triacetin 58.1
    span 80 53.99
    1,4-butanediol 31.87
    1,1-dichloroethane 143.81
    2-methyl-1-pentanol 41.05
    methyl formate 131.53
    2-methyl-1-butanol 55.6
    n-decane 4.7
    butyronitrile 112.43
    3,7-dimethyl-1-octanol 36.93
    1-chlorooctane 23.31
    1-chlorotetradecane 9.25
    n-nonane 4.27
    undecane 3.46
    tert-butylcyclohexane 5.94
    cyclooctane 2.36
    cyclopentanol 86.86
    tetrahydropyran 203.83
    tert-amyl methyl ether 56.47
    2,5,8-trioxanonane 103.87
    1-hexene 18.79
    2-isopropoxyethanol 68.84
    2,2,2-trifluoroethanol 55.01
    methyl butyrate 79.19

    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
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 2.12%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 9.8%