4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H14O3

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

  • Odor profile

    Sweet 74.49%
    Caramellic 66.27%
    Burnt 43.97%
    Tobacco 35.78%
    Woody 32.39%
    Nutty 30.1%
    Hay 29.86%
    Tea 29.01%
    Mint 28.83%
    Roasted 27.18%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point est.
    134.76 ˚C

  • Synonyms

    • PNYLZZYIHSNTOD-UHFFFAOYSA-N
    • 4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-carboxaldehyde
    • 1-Cyclohexene-1-carboxaldehyde, 4-hydroxy-2,6,6-trimethyl-3-oxo-
    • 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.41
    methanol 306.89
    isopropanol 79.47
    water 5.77
    ethyl acetate 155.31
    n-propanol 107.04
    acetone 187.43
    n-butanol 72.36
    acetonitrile 178.27
    DMF 294.13
    toluene 46.03
    isobutanol 49.54
    1,4-dioxane 324.58
    methyl acetate 148.56
    THF 660.41
    2-butanone 127.21
    n-pentanol 40.75
    sec-butanol 51.23
    n-hexane 2.12
    ethylene glycol 69.62
    NMP 322.66
    cyclohexane 2.94
    DMSO 328.43
    n-butyl acetate 74.42
    n-octanol 27.59
    chloroform 156.48
    n-propyl acetate 62.67
    acetic acid 196.78
    dichloromethane 209.0
    cyclohexanone 186.77
    propylene glycol 41.04
    isopropyl acetate 76.24
    DMAc 130.81
    2-ethoxyethanol 111.49
    isopentanol 49.76
    n-heptane 3.02
    ethyl formate 125.91
    1,2-dichloroethane 167.64
    n-hexanol 72.28
    2-methoxyethanol 312.87
    isobutyl acetate 35.02
    tetrachloromethane 26.35
    n-pentyl acetate 43.65
    transcutol 223.11
    n-heptanol 33.22
    ethylbenzene 19.01
    MIBK 65.08
    2-propoxyethanol 162.59
    tert-butanol 86.65
    MTBE 48.74
    2-butoxyethanol 73.25
    propionic acid 108.21
    o-xylene 26.93
    formic acid 219.4
    diethyl ether 88.42
    m-xylene 39.05
    p-xylene 23.81
    chlorobenzene 70.97
    dimethyl carbonate 74.03
    n-octane 1.73
    formamide 267.54
    cyclopentanone 375.99
    2-pentanone 117.45
    anisole 59.43
    cyclopentyl methyl ether 153.71
    gamma-butyrolactone 537.21
    1-methoxy-2-propanol 181.23
    pyridine 157.02
    3-pentanone 77.47
    furfural 308.55
    n-dodecane 1.47
    diethylene glycol 163.71
    diisopropyl ether 19.55
    tert-amyl alcohol 51.97
    acetylacetone 151.67
    n-hexadecane 1.73
    acetophenone 62.46
    methyl propionate 135.39
    isopentyl acetate 59.37
    trichloroethylene 271.45
    n-nonanol 25.77
    cyclohexanol 58.77
    benzyl alcohol 54.53
    2-ethylhexanol 32.97
    isooctanol 25.1
    dipropyl ether 34.68
    1,2-dichlorobenzene 63.96
    ethyl lactate 40.24
    propylene carbonate 192.29
    n-methylformamide 272.07
    2-pentanol 38.16
    n-pentane 2.57
    1-propoxy-2-propanol 88.97
    1-methoxy-2-propyl acetate 101.22
    2-(2-methoxypropoxy) propanol 61.8
    mesitylene 21.01
    ε-caprolactone 179.05
    p-cymene 17.16
    epichlorohydrin 445.76
    1,1,1-trichloroethane 96.21
    2-aminoethanol 90.19
    morpholine-4-carbaldehyde 269.7
    sulfolane 443.31
    2,2,4-trimethylpentane 1.92
    2-methyltetrahydrofuran 243.05
    n-hexyl acetate 60.82
    isooctane 2.16
    2-(2-butoxyethoxy)ethanol 85.58
    sec-butyl acetate 37.99
    tert-butyl acetate 82.22
    decalin 2.88
    glycerin 91.51
    diglyme 157.48
    acrylic acid 115.85
    isopropyl myristate 22.27
    n-butyric acid 123.64
    acetyl acetate 92.23
    di(2-ethylhexyl) phthalate 27.23
    ethyl propionate 60.15
    nitromethane 397.69
    1,2-diethoxyethane 65.87
    benzonitrile 74.05
    trioctyl phosphate 22.53
    1-bromopropane 55.01
    gamma-valerolactone 409.92
    n-decanol 18.62
    triethyl phosphate 31.08
    4-methyl-2-pentanol 25.78
    propionitrile 100.49
    vinylene carbonate 168.35
    1,1,2-trichlorotrifluoroethane 163.75
    DMS 70.71
    cumene 14.52
    2-octanol 19.87
    2-hexanone 54.65
    octyl acetate 29.95
    limonene 22.12
    1,2-dimethoxyethane 168.87
    ethyl orthosilicate 27.55
    tributyl phosphate 23.85
    diacetone alcohol 105.55
    N,N-dimethylaniline 36.53
    acrylonitrile 145.94
    aniline 70.02
    1,3-propanediol 138.09
    bromobenzene 60.91
    dibromomethane 112.85
    1,1,2,2-tetrachloroethane 148.73
    2-methyl-cyclohexyl acetate 46.05
    tetrabutyl urea 32.53
    diisobutyl methanol 19.93
    2-phenylethanol 67.38
    styrene 20.8
    dioctyl adipate 34.2
    dimethyl sulfate 129.03
    ethyl butyrate 50.42
    methyl lactate 70.35
    butyl lactate 38.65
    diethyl carbonate 37.32
    propanediol butyl ether 56.05
    triethyl orthoformate 35.42
    p-tert-butyltoluene 17.21
    methyl 4-tert-butylbenzoate 65.09
    morpholine 319.96
    tert-butylamine 35.86
    n-dodecanol 13.34
    dimethoxymethane 238.1
    ethylene carbonate 139.03
    cyrene 82.57
    2-ethoxyethyl acetate 74.78
    2-ethylhexyl acetate 43.2
    1,2,4-trichlorobenzene 75.27
    4-methylpyridine 138.5
    dibutyl ether 21.38
    2,6-dimethyl-4-heptanol 19.93
    DEF 104.67
    dimethyl isosorbide 141.72
    tetrachloroethylene 107.72
    eugenol 59.89
    triacetin 57.75
    span 80 48.69
    1,4-butanediol 36.74
    1,1-dichloroethane 114.8
    2-methyl-1-pentanol 30.19
    methyl formate 264.19
    2-methyl-1-butanol 41.02
    n-decane 2.66
    butyronitrile 86.19
    3,7-dimethyl-1-octanol 25.12
    1-chlorooctane 15.51
    1-chlorotetradecane 5.79
    n-nonane 2.28
    undecane 1.94
    tert-butylcyclohexane 2.97
    cyclooctane 1.45
    cyclopentanol 103.86
    tetrahydropyran 190.05
    tert-amyl methyl ether 38.84
    2,5,8-trioxanonane 100.42
    1-hexene 10.38
    2-isopropoxyethanol 64.68
    2,2,2-trifluoroethanol 107.65
    methyl butyrate 76.35

    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 0.16%