2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone

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  • Identifiers

    CAS number
    4883-60-7

    Molecular formula
    C9H14O2

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

  • Odor profile

    Fragrance
    Woody 64.19%
    Sweet 59.81%
    Tobacco 50.49%
    Phenolic 48.96%
    Spicy 45.2%
    Caramellic 41.52%
    Camphoreous 41.36%
    Dry 38.65%
    Mint 38.11%
    Herbal 34.39%

     

    Flavor
    Woody 71.16%
    Tobacco 60.97%
    Phenolic 57.53%
    Sweet 54.76%
    Spicy 49.56%
    Musty 44.72%
    Dry 43.22%
    Nutty 41.12%
    Powdery 40.73%
    Caramel 39.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.35 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 89 - 91 °C

    Boiling point

    • 214.00 to 215.00 °C. @ 760.00 mm Hg

    Flash point

    • 99.12 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in ethanol, fat

  • Synonyms

    • 4883-60-7
    • 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
    • 2-Hydroxyisophorone
    • 2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-
    • 2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
    • 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone
    • FEMA No. 3459
    • 5RIP7E0O7J
    • DTXSID30197614
    • Enol-3,5,5-Trimethyl-1,2-cyclohexanedione
    • 2-HYDROXY-3,5,5-TRIMETHYL-1,2-CYCLOHEXENONE [FHFI]
    • UNII-5RIP7E0O7J
    • MFCD02181023
    • 2-Hydroxy-3,5,5-trimethyl-cyclohex-2-enone
    • SCHEMBL856999
    • DTXCID90120105
    • CHEBI:180438
    • AKOS004909655
    • CS-0153634
    • NS00022225
    • T2723
    • (4r)-hydroxy-3,5,5-trimethylcyclohex-2-enone
    • H11385
    • 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1-one
    • 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one #
    • 3,5,5-Trimethylcyclohexane-1,2-dione, AldrichCPR
    • 2-HYDROXY-3,5,5-TRIMETHYL-1,2-CYCLOHEXENONE
    • 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, 9CI
    • Q27262785
    • 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, analytical reference material
    • 610-435-3

  • Applications

    2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone, CAS 4883-60-7, is primarily used as an intermediate in fragrance and flavor chemistry, serving as a synthetic building block for aroma materials and as an odorant or fragrance fixative in perfumery. It is commonly evaluated for cosmetic/personal-care fragrance applications, for household and cleaning-product scent formulations, and as a reactive intermediate in industrial manufacturing. In polymers/plastics and coatings/inks, it may function as a fragrance additive or scent modifier, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 392.18
    methanol 658.08
    isopropanol 307.72
    water 12.57
    ethyl acetate 214.8
    n-propanol 309.09
    acetone 262.11
    n-butanol 240.0
    acetonitrile 267.17
    DMF 259.05
    toluene 78.69
    isobutanol 196.59
    1,4-dioxane 491.77
    methyl acetate 219.53
    THF 794.43
    2-butanone 211.06
    n-pentanol 160.89
    sec-butanol 225.76
    n-hexane 26.95
    ethylene glycol 168.26
    NMP 269.36
    cyclohexane 21.33
    DMSO 249.98
    n-butyl acetate 181.4
    n-octanol 165.94
    chloroform 376.98
    n-propyl acetate 115.01
    acetic acid 326.23
    dichloromethane 269.23
    cyclohexanone 254.19
    propylene glycol 171.43
    isopropyl acetate 152.13
    DMAc 154.94
    2-ethoxyethanol 247.5
    isopentanol 173.96
    n-heptane 26.71
    ethyl formate 166.7
    1,2-dichloroethane 193.77
    n-hexanol 348.37
    2-methoxyethanol 422.22
    isobutyl acetate 88.34
    tetrachloromethane 73.42
    n-pentyl acetate 115.5
    transcutol 471.57
    n-heptanol 164.43
    ethylbenzene 61.63
    MIBK 161.44
    2-propoxyethanol 483.92
    tert-butanol 337.64
    MTBE 210.34
    2-butoxyethanol 237.17
    propionic acid 229.41
    o-xylene 66.24
    formic acid 223.56
    diethyl ether 227.7
    m-xylene 92.8
    p-xylene 71.88
    chlorobenzene 118.44
    dimethyl carbonate 80.18
    n-octane 14.18
    formamide 150.85
    cyclopentanone 374.06
    2-pentanone 203.75
    anisole 137.1
    cyclopentyl methyl ether 268.0
    gamma-butyrolactone 470.42
    1-methoxy-2-propanol 328.57
    pyridine 176.24
    3-pentanone 128.47
    furfural 318.82
    n-dodecane 12.45
    diethylene glycol 356.02
    diisopropyl ether 86.03
    tert-amyl alcohol 227.73
    acetylacetone 202.53
    n-hexadecane 13.54
    acetophenone 110.54
    methyl propionate 160.01
    isopentyl acetate 167.21
    trichloroethylene 336.96
    n-nonanol 134.13
    cyclohexanol 173.06
    benzyl alcohol 113.39
    2-ethylhexanol 149.64
    isooctanol 120.05
    dipropyl ether 136.82
    1,2-dichlorobenzene 114.66
    ethyl lactate 86.36
    propylene carbonate 234.06
    n-methylformamide 220.3
    2-pentanol 179.02
    n-pentane 26.57
    1-propoxy-2-propanol 298.97
    1-methoxy-2-propyl acetate 208.03
    2-(2-methoxypropoxy) propanol 164.13
    mesitylene 63.01
    ε-caprolactone 242.32
    p-cymene 55.36
    epichlorohydrin 417.87
    1,1,1-trichloroethane 197.23
    2-aminoethanol 255.94
    morpholine-4-carbaldehyde 310.9
    sulfolane 395.93
    2,2,4-trimethylpentane 20.3
    2-methyltetrahydrofuran 379.78
    n-hexyl acetate 191.15
    isooctane 21.93
    2-(2-butoxyethoxy)ethanol 252.91
    sec-butyl acetate 94.59
    tert-butyl acetate 193.72
    decalin 18.65
    glycerin 214.47
    diglyme 345.92
    acrylic acid 201.47
    isopropyl myristate 72.76
    n-butyric acid 246.82
    acetyl acetate 124.01
    di(2-ethylhexyl) phthalate 70.99
    ethyl propionate 112.24
    nitromethane 341.47
    1,2-diethoxyethane 156.23
    benzonitrile 133.96
    trioctyl phosphate 64.93
    1-bromopropane 139.63
    gamma-valerolactone 422.67
    n-decanol 100.97
    triethyl phosphate 58.13
    4-methyl-2-pentanol 133.11
    propionitrile 209.01
    vinylene carbonate 188.12
    1,1,2-trichlorotrifluoroethane 239.92
    DMS 117.59
    cumene 54.81
    2-octanol 114.98
    2-hexanone 129.61
    octyl acetate 99.75
    limonene 73.24
    1,2-dimethoxyethane 301.64
    ethyl orthosilicate 59.37
    tributyl phosphate 64.92
    diacetone alcohol 235.85
    N,N-dimethylaniline 93.89
    acrylonitrile 219.17
    aniline 111.47
    1,3-propanediol 267.73
    bromobenzene 104.6
    dibromomethane 202.35
    1,1,2,2-tetrachloroethane 266.21
    2-methyl-cyclohexyl acetate 104.59
    tetrabutyl urea 75.16
    diisobutyl methanol 92.89
    2-phenylethanol 173.08
    styrene 60.63
    dioctyl adipate 84.13
    dimethyl sulfate 123.9
    ethyl butyrate 117.2
    methyl lactate 119.75
    butyl lactate 104.54
    diethyl carbonate 71.43
    propanediol butyl ether 217.95
    triethyl orthoformate 78.09
    p-tert-butyltoluene 62.3
    methyl 4-tert-butylbenzoate 146.74
    morpholine 452.02
    tert-butylamine 210.06
    n-dodecanol 74.38
    dimethoxymethane 248.06
    ethylene carbonate 162.4
    cyrene 141.62
    2-ethoxyethyl acetate 140.46
    2-ethylhexyl acetate 115.59
    1,2,4-trichlorobenzene 127.04
    4-methylpyridine 174.65
    dibutyl ether 97.0
    2,6-dimethyl-4-heptanol 92.89
    DEF 153.86
    dimethyl isosorbide 241.94
    tetrachloroethylene 174.65
    eugenol 149.51
    triacetin 117.69
    span 80 150.74
    1,4-butanediol 121.63
    1,1-dichloroethane 225.3
    2-methyl-1-pentanol 125.3
    methyl formate 209.11
    2-methyl-1-butanol 159.84
    n-decane 20.96
    butyronitrile 225.56
    3,7-dimethyl-1-octanol 132.78
    1-chlorooctane 81.68
    1-chlorotetradecane 31.28
    n-nonane 20.9
    undecane 15.71
    tert-butylcyclohexane 24.31
    cyclooctane 12.26
    cyclopentanol 222.87
    tetrahydropyran 333.96
    tert-amyl methyl ether 153.69
    2,5,8-trioxanonane 229.03
    1-hexene 82.41
    2-isopropoxyethanol 181.28
    2,2,2-trifluoroethanol 140.05
    methyl butyrate 131.14

    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