4-Hydroxy-2,2,6-trimethylcyclohexanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    20548-02-1

    Molecular formula
    C9H16O2

    SMILES
    CC1CC(CC(C1=O)(C)C)O

  • Odor profile

    Fragrance
    Sweet 49.02%
    Mint 42.4%
    Herbal 40.29%
    Camphoreous 39.83%
    Woody 35.83%
    Tobacco 34.42%
    Musty 32.93%
    Earthy 31.34%
    Caramellic 30.45%
    Citrus 29.61%

     

    Flavor
    Sweet 65.69%
    Herbal 42.15%
    Minty 37.55%
    Woody 34.45%
    Tobacco 33.28%
    Bitter 30.25%
    Caramel 29.11%
    Camphor 27.71%
    Musty 25.93%
    Coumarin 24.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    9.0 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 97.39 ˚C est.

  • Synonyms

    • 20548-02-1
    • 4-hydroxy-2,2,6-trimethylcyclohexanone
    • 4-hydroxy-2,2,6-trimethylcyclohexan-1-one
    • Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-
    • X5GI5QTU0I
    • UNII-X5GI5QTU0I
    • SCHEMBL960112
    • DTXSID10558901
    • CSPVUHYZUZZRGF-UHFFFAOYSA-N
    • NS00006687
    • EN300-267571
    • G52713

  • Applications

    4-Hydroxy-2,2,6-trimethylcyclohexanone (CAS 20548-02-1) is primarily used as an intermediate in fragrance chemistry, serving as a building block for the synthesis of aroma compounds and may function as a fragrance ingredient or precursor. In cosmetics and personal care, it may be used as a fragrance ingredient or precursor; in household products to contribute to scent profiles; in industrial manufacturing as an intermediate for fragrance and flavor chemicals and related specialty chemicals; and in the polymers and plastics sector as a building block for fragrance-containing polymer additives or coating formulations with fragrance functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 901.69
    methanol 1647.37
    isopropanol 519.42
    water 25.4
    ethyl acetate 337.14
    n-propanol 592.79
    acetone 418.96
    n-butanol 463.6
    acetonitrile 530.73
    DMF 442.01
    toluene 148.2
    isobutanol 375.94
    1,4-dioxane 769.96
    methyl acetate 321.14
    THF 1046.67
    2-butanone 310.59
    n-pentanol 245.64
    sec-butanol 349.02
    n-hexane 44.2
    ethylene glycol 220.09
    NMP 392.33
    cyclohexane 49.16
    DMSO 373.33
    n-butyl acetate 282.12
    n-octanol 170.94
    chloroform 798.01
    n-propyl acetate 176.75
    acetic acid 758.16
    dichloromethane 611.32
    cyclohexanone 437.6
    propylene glycol 185.85
    isopropyl acetate 222.75
    DMAc 266.18
    2-ethoxyethanol 343.98
    isopentanol 336.6
    n-heptane 33.5
    ethyl formate 299.03
    1,2-dichloroethane 342.63
    n-hexanol 395.16
    2-methoxyethanol 676.37
    isobutyl acetate 133.5
    tetrachloromethane 166.75
    n-pentyl acetate 164.33
    transcutol 867.51
    n-heptanol 176.64
    ethylbenzene 83.92
    MIBK 200.36
    2-propoxyethanol 560.73
    tert-butanol 547.63
    MTBE 334.22
    2-butoxyethanol 268.12
    propionic acid 387.78
    o-xylene 109.47
    formic acid 539.47
    diethyl ether 411.9
    m-xylene 135.62
    p-xylene 111.42
    chlorobenzene 209.77
    dimethyl carbonate 107.44
    n-octane 14.07
    formamide 423.25
    cyclopentanone 526.53
    2-pentanone 282.78
    anisole 177.45
    cyclopentyl methyl ether 370.81
    gamma-butyrolactone 686.18
    1-methoxy-2-propanol 407.42
    pyridine 327.49
    3-pentanone 193.09
    furfural 489.66
    n-dodecane 11.2
    diethylene glycol 449.66
    diisopropyl ether 130.18
    tert-amyl alcohol 349.45
    acetylacetone 278.17
    n-hexadecane 12.54
    acetophenone 154.58
    methyl propionate 222.53
    isopentyl acetate 242.9
    trichloroethylene 592.45
    n-nonanol 137.21
    cyclohexanol 303.52
    benzyl alcohol 155.17
    2-ethylhexanol 172.49
    isooctanol 128.36
    dipropyl ether 181.97
    1,2-dichlorobenzene 189.87
    ethyl lactate 102.21
    propylene carbonate 333.33
    n-methylformamide 439.24
    2-pentanol 267.54
    n-pentane 49.85
    1-propoxy-2-propanol 324.79
    1-methoxy-2-propyl acetate 261.01
    2-(2-methoxypropoxy) propanol 186.89
    mesitylene 88.43
    ε-caprolactone 385.02
    p-cymene 74.35
    epichlorohydrin 591.43
    1,1,1-trichloroethane 369.68
    2-aminoethanol 371.89
    morpholine-4-carbaldehyde 462.02
    sulfolane 515.39
    2,2,4-trimethylpentane 27.47
    2-methyltetrahydrofuran 553.55
    n-hexyl acetate 240.01
    isooctane 26.38
    2-(2-butoxyethoxy)ethanol 277.31
    sec-butyl acetate 133.83
    tert-butyl acetate 260.87
    decalin 28.63
    glycerin 258.62
    diglyme 471.41
    acrylic acid 333.79
    isopropyl myristate 84.81
    n-butyric acid 475.29
    acetyl acetate 230.81
    di(2-ethylhexyl) phthalate 86.63
    ethyl propionate 147.44
    nitromethane 765.15
    1,2-diethoxyethane 266.4
    benzonitrile 233.5
    trioctyl phosphate 71.42
    1-bromopropane 240.13
    gamma-valerolactone 627.23
    n-decanol 93.79
    triethyl phosphate 82.28
    4-methyl-2-pentanol 164.21
    propionitrile 377.9
    vinylene carbonate 305.29
    1,1,2-trichlorotrifluoroethane 375.47
    DMS 170.96
    cumene 71.62
    2-octanol 112.04
    2-hexanone 185.77
    octyl acetate 105.81
    limonene 103.85
    1,2-dimethoxyethane 452.21
    ethyl orthosilicate 85.18
    tributyl phosphate 85.03
    diacetone alcohol 261.62
    N,N-dimethylaniline 120.29
    acrylonitrile 372.63
    aniline 203.87
    1,3-propanediol 447.86
    bromobenzene 190.46
    dibromomethane 415.25
    1,1,2,2-tetrachloroethane 454.39
    2-methyl-cyclohexyl acetate 140.72
    tetrabutyl urea 91.28
    diisobutyl methanol 103.69
    2-phenylethanol 202.15
    styrene 91.1
    dioctyl adipate 107.08
    dimethyl sulfate 162.81
    ethyl butyrate 167.53
    methyl lactate 128.7
    butyl lactate 134.36
    diethyl carbonate 113.7
    propanediol butyl ether 227.01
    triethyl orthoformate 121.43
    p-tert-butyltoluene 77.3
    methyl 4-tert-butylbenzoate 168.01
    morpholine 725.15
    tert-butylamine 342.37
    n-dodecanol 66.65
    dimethoxymethane 371.72
    ethylene carbonate 274.06
    cyrene 167.01
    2-ethoxyethyl acetate 211.58
    2-ethylhexyl acetate 176.13
    1,2,4-trichlorobenzene 212.19
    4-methylpyridine 316.26
    dibutyl ether 133.83
    2,6-dimethyl-4-heptanol 103.69
    DEF 237.61
    dimethyl isosorbide 294.63
    tetrachloroethylene 357.18
    eugenol 156.1
    triacetin 169.78
    span 80 170.74
    1,4-butanediol 170.06
    1,1-dichloroethane 391.11
    2-methyl-1-pentanol 191.69
    methyl formate 371.73
    2-methyl-1-butanol 297.68
    n-decane 20.92
    butyronitrile 381.21
    3,7-dimethyl-1-octanol 143.21
    1-chlorooctane 87.09
    1-chlorotetradecane 31.11
    n-nonane 20.63
    undecane 14.64
    tert-butylcyclohexane 30.4
    cyclooctane 20.54
    cyclopentanol 349.18
    tetrahydropyran 579.69
    tert-amyl methyl ether 215.41
    2,5,8-trioxanonane 289.36
    1-hexene 128.83
    2-isopropoxyethanol 229.51
    2,2,2-trifluoroethanol 278.88
    methyl butyrate 185.65

    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
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%