4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    19620-37-2

    Molecular formula
    C9H14O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.07%
    Caramellic 44.8%
    Tobacco 43.96%
    Woody 43.54%
    Mint 40.89%
    Hay 38.14%
    Herbal 37.6%
    Tea 35.5%
    Camphoreous 34.6%
    Phenolic 33.72%

     

    Flavor
    Sweet 60.73%
    Tobacco 45.99%
    Woody 42.78%
    Minty 40.95%
    Herbal 34.74%
    Caramel 33.05%
    Maple 30.15%
    Phenolic 29.23%
    Powdery 27.21%
    Spice 26.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.84 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 101.18 ˚C est.

  • Synonyms

    • 4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-one
    • 19620-37-2
    • DTXSID00941388
    • RefChem:1070743
    • 4-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-one
    • DTXCID001002491
    • 243-192-3
    • 4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-one
    • 2,6,6-Trimethylcyclohex-2-en-4-ol-1-one
    • EINECS 243-192-3
    • 1,1,3-Trimethyl-5-hydroxy-3-cyclohexen-2-one; 2,6,6-Trimethyl-4-hydroxycyclohex-2-en-1-one; 4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-one;
    • starbld0005800
    • SCHEMBL3630532
    • CZWSBAFIAZKCRV-UHFFFAOYSA-N
    • NS00047551
    • 19620-37-2

  • Applications

    4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-one (CAS 19620-37-2) is mainly used as a fragrance precursor and odorant in perfumery, serving as a building block for aroma compounds commonly used in fragrance synthesis. It is employed as an ingredient in cosmetics and personal care as a fragrance component and may appear in household products for scent enhancement. In coatings, inks, and related industrial applications, it can function as a fragrance modifier or odor-active additive. It is also encountered as an intermediate in industrial manufacturing of fragrance chemistry and can be used as a fragrance-related additive in polymers and plastics, subject to formulation controls and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 657.89
    methanol 1132.25
    isopropanol 373.73
    water 14.51
    ethyl acetate 280.21
    n-propanol 435.52
    acetone 329.22
    n-butanol 355.39
    acetonitrile 432.1
    DMF 441.1
    toluene 143.09
    isobutanol 265.56
    1,4-dioxane 623.6
    methyl acetate 262.93
    THF 879.11
    2-butanone 255.69
    n-pentanol 212.58
    sec-butanol 268.0
    n-hexane 47.57
    ethylene glycol 158.19
    NMP 359.14
    cyclohexane 44.3
    DMSO 317.29
    n-butyl acetate 192.5
    n-octanol 138.68
    chloroform 554.47
    n-propyl acetate 150.55
    acetic acid 510.26
    dichloromethane 479.82
    cyclohexanone 337.38
    propylene glycol 129.12
    isopropyl acetate 175.36
    DMAc 235.7
    2-ethoxyethanol 310.96
    isopentanol 252.71
    n-heptane 34.02
    ethyl formate 239.79
    1,2-dichloroethane 277.37
    n-hexanol 328.52
    2-methoxyethanol 587.22
    isobutyl acetate 102.65
    tetrachloromethane 126.34
    n-pentyl acetate 125.34
    transcutol 632.86
    n-heptanol 137.41
    ethylbenzene 78.73
    MIBK 175.47
    2-propoxyethanol 456.06
    tert-butanol 406.65
    MTBE 268.37
    2-butoxyethanol 210.56
    propionic acid 272.41
    o-xylene 96.93
    formic acid 392.76
    diethyl ether 380.97
    m-xylene 129.47
    p-xylene 97.02
    chlorobenzene 160.57
    dimethyl carbonate 107.4
    n-octane 14.08
    formamide 337.07
    cyclopentanone 439.93
    2-pentanone 248.94
    anisole 162.56
    cyclopentyl methyl ether 338.92
    gamma-butyrolactone 549.11
    1-methoxy-2-propanol 376.89
    pyridine 269.69
    3-pentanone 170.39
    furfural 383.25
    n-dodecane 11.19
    diethylene glycol 362.25
    diisopropyl ether 113.46
    tert-amyl alcohol 272.63
    acetylacetone 227.34
    n-hexadecane 12.54
    acetophenone 132.46
    methyl propionate 202.15
    isopentyl acetate 166.88
    trichloroethylene 448.05
    n-nonanol 113.74
    cyclohexanol 234.03
    benzyl alcohol 129.32
    2-ethylhexanol 137.6
    isooctanol 100.41
    dipropyl ether 155.88
    1,2-dichlorobenzene 151.09
    ethyl lactate 89.59
    propylene carbonate 256.64
    n-methylformamide 371.81
    2-pentanol 216.23
    n-pentane 52.57
    1-propoxy-2-propanol 251.86
    1-methoxy-2-propyl acetate 201.1
    2-(2-methoxypropoxy) propanol 149.73
    mesitylene 82.57
    ε-caprolactone 290.59
    p-cymene 60.76
    epichlorohydrin 507.05
    1,1,1-trichloroethane 286.7
    2-aminoethanol 263.63
    morpholine-4-carbaldehyde 386.84
    sulfolane 419.42
    2,2,4-trimethylpentane 25.01
    2-methyltetrahydrofuran 473.34
    n-hexyl acetate 187.23
    isooctane 25.64
    2-(2-butoxyethoxy)ethanol 218.14
    sec-butyl acetate 111.25
    tert-butyl acetate 208.77
    decalin 26.52
    glycerin 193.48
    diglyme 358.36
    acrylic acid 243.66
    isopropyl myristate 71.43
    n-butyric acid 328.03
    acetyl acetate 174.73
    di(2-ethylhexyl) phthalate 68.0
    ethyl propionate 134.49
    nitromethane 568.39
    1,2-diethoxyethane 210.67
    benzonitrile 177.52
    trioctyl phosphate 59.2
    1-bromopropane 212.76
    gamma-valerolactone 495.36
    n-decanol 80.27
    triethyl phosphate 69.5
    4-methyl-2-pentanol 136.6
    propionitrile 303.6
    vinylene carbonate 235.64
    1,1,2-trichlorotrifluoroethane 271.94
    DMS 143.01
    cumene 63.41
    2-octanol 92.28
    2-hexanone 152.02
    octyl acetate 87.43
    limonene 83.73
    1,2-dimethoxyethane 403.08
    ethyl orthosilicate 71.64
    tributyl phosphate 68.06
    diacetone alcohol 217.33
    N,N-dimethylaniline 111.55
    acrylonitrile 305.37
    aniline 163.06
    1,3-propanediol 340.7
    bromobenzene 150.08
    dibromomethane 331.7
    1,1,2,2-tetrachloroethane 337.89
    2-methyl-cyclohexyl acetate 111.94
    tetrabutyl urea 77.93
    diisobutyl methanol 83.28
    2-phenylethanol 162.63
    styrene 84.94
    dioctyl adipate 86.56
    dimethyl sulfate 148.68
    ethyl butyrate 132.18
    methyl lactate 113.98
    butyl lactate 100.01
    diethyl carbonate 90.27
    propanediol butyl ether 168.88
    triethyl orthoformate 96.65
    p-tert-butyltoluene 64.11
    methyl 4-tert-butylbenzoate 139.94
    morpholine 595.51
    tert-butylamine 267.77
    n-dodecanol 59.05
    dimethoxymethane 402.39
    ethylene carbonate 208.93
    cyrene 141.68
    2-ethoxyethyl acetate 165.9
    2-ethylhexyl acetate 126.11
    1,2,4-trichlorobenzene 162.4
    4-methylpyridine 269.69
    dibutyl ether 112.52
    2,6-dimethyl-4-heptanol 83.28
    DEF 214.94
    dimethyl isosorbide 238.53
    tetrachloroethylene 257.85
    eugenol 135.56
    triacetin 131.37
    span 80 130.67
    1,4-butanediol 134.73
    1,1-dichloroethane 308.28
    2-methyl-1-pentanol 162.89
    methyl formate 330.36
    2-methyl-1-butanol 231.78
    n-decane 20.5
    butyronitrile 300.57
    3,7-dimethyl-1-octanol 114.48
    1-chlorooctane 76.58
    1-chlorotetradecane 29.72
    n-nonane 20.02
    undecane 14.55
    tert-butylcyclohexane 28.5
    cyclooctane 20.25
    cyclopentanol 274.65
    tetrahydropyran 488.78
    tert-amyl methyl ether 189.61
    2,5,8-trioxanonane 233.57
    1-hexene 127.79
    2-isopropoxyethanol 197.94
    2,2,2-trifluoroethanol 193.53
    methyl butyrate 161.09

    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