3-Hydroxycyclohexanone

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  • Identifiers

    CAS number
    823-19-8

    Molecular formula
    C6H10O2

    SMILES
    C1CC(CC(=O)C1)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 44.31%
    Sweet 43.36%
    Nutty 39.86%
    Buttery 31.26%
    Mint 31.22%
    Coconut 30.82%
    Woody 30.71%
    Burnt 29.52%
    Coumarinic 28.49%
    Solvent 28.06%

     

    Flavor
    Minty 43.43%
    Sweet 35.74%
    Bitter 34.53%
    Caramel 27.6%
    Warm 23.32%
    Herbal 23.13%
    Cauliflower 22.74%
    Coconut 22.69%
    Coumarin 22.47%
    Tonka 21.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    8.47 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 96.58 ˚C est.

  • Synonyms

    • 3-Hydroxycyclohexanone
    • 3-hydroxycyclohexan-1-one
    • 823-19-8
    • Cyclohexanone, 3-hydroxy-
    • CHEBI:17611
    • DTXSID50331457
    • RefChem:94286
    • DTXCID50282551
    • TWEVQGUWCLBRMJ-UHFFFAOYSA-N
    • MFCD21338523
    • (3S)-3-hydroxycyclohexan-1-one
    • 3-hydroxy-cyclohexan-1-one
    • Carteolol Impurity 28
    • (3R)-3-hydroxycyclohexanone
    • SCHEMBL638389
    • SCHEMBL6835858
    • AKOS015906744
    • AB87578
    • SB23108
    • AS-53066
    • SY047680
    • CS-0051335
    • C03228
    • EN300-112586
    • P16037
    • Q27102476
    • 823-19-8

  • Applications

    3-Hydroxycyclohexanone, CAS 823-19-8, is a versatile intermediate in organic synthesis. It is used as a building block for pharmaceutical and agrochemical intermediates, and it also serves as a unit for constructing fragrance and cosmetic-related compounds. In polymer and plastics chemistry, it can provide precursors for monomers and resin components, supporting applications in coatings, inks, and adhesives. In the cosmetics and personal care sector, it may appear as a process intermediate for fragrance and other specialty ingredients, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 465.03
    methanol 808.02
    isopropanol 267.2
    water 114.35
    ethyl acetate 81.21
    n-propanol 257.95
    acetone 241.06
    n-butanol 173.79
    acetonitrile 153.93
    DMF 384.47
    toluene 7.51
    isobutanol 138.53
    1,4-dioxane 278.79
    methyl acetate 88.7
    THF 328.62
    2-butanone 94.12
    n-pentanol 113.36
    sec-butanol 129.5
    n-hexane 4.58
    ethylene glycol 277.43
    NMP 297.64
    cyclohexane 4.33
    DMSO 438.87
    n-butyl acetate 51.4
    n-octanol 62.7
    chloroform 126.11
    n-propyl acetate 49.42
    acetic acid 846.55
    dichloromethane 81.9
    cyclohexanone 131.13
    propylene glycol 236.8
    isopropyl acetate 46.05
    DMAc 192.7
    2-ethoxyethanol 211.96
    isopentanol 109.54
    n-heptane 4.91
    ethyl formate 80.17
    1,2-dichloroethane 47.27
    n-hexanol 103.99
    2-methoxyethanol 427.67
    isobutyl acetate 35.14
    tetrachloromethane 16.25
    n-pentyl acetate 44.02
    transcutol 815.3
    n-heptanol 54.86
    ethylbenzene 5.67
    MIBK 53.04
    2-propoxyethanol 214.72
    tert-butanol 204.89
    MTBE 51.28
    2-butoxyethanol 124.34
    propionic acid 283.55
    o-xylene 10.15
    formic acid 599.34
    diethyl ether 61.12
    m-xylene 12.17
    p-xylene 10.19
    chlorobenzene 22.93
    dimethyl carbonate 30.95
    n-octane 2.05
    formamide 473.21
    cyclopentanone 201.14
    2-pentanone 78.16
    anisole 34.26
    cyclopentyl methyl ether 82.08
    gamma-butyrolactone 290.7
    1-methoxy-2-propanol 253.59
    pyridine 79.13
    3-pentanone 46.05
    furfural 210.57
    n-dodecane 2.43
    diethylene glycol 292.57
    diisopropyl ether 16.85
    tert-amyl alcohol 112.1
    acetylacetone 106.86
    n-hexadecane 2.59
    acetophenone 39.99
    methyl propionate 68.64
    isopentyl acetate 43.49
    trichloroethylene 106.44
    n-nonanol 52.8
    cyclohexanol 93.09
    benzyl alcohol 51.53
    2-ethylhexanol 40.71
    isooctanol 40.92
    dipropyl ether 35.6
    1,2-dichlorobenzene 26.24
    ethyl lactate 46.72
    propylene carbonate 119.27
    n-methylformamide 275.1
    2-pentanol 85.09
    n-pentane 4.37
    1-propoxy-2-propanol 133.87
    1-methoxy-2-propyl acetate 72.6
    2-(2-methoxypropoxy) propanol 123.43
    mesitylene 10.2
    ε-caprolactone 125.49
    p-cymene 10.45
    epichlorohydrin 167.93
    1,1,1-trichloroethane 39.71
    2-aminoethanol 350.43
    morpholine-4-carbaldehyde 286.17
    sulfolane 290.74
    2,2,4-trimethylpentane 3.22
    2-methyltetrahydrofuran 151.05
    n-hexyl acetate 73.65
    isooctane 3.22
    2-(2-butoxyethoxy)ethanol 201.48
    sec-butyl acetate 30.28
    tert-butyl acetate 53.1
    decalin 3.02
    glycerin 377.44
    diglyme 271.88
    acrylic acid 293.68
    isopropyl myristate 26.75
    n-butyric acid 224.03
    acetyl acetate 63.48
    di(2-ethylhexyl) phthalate 36.55
    ethyl propionate 37.8
    nitromethane 592.76
    1,2-diethoxyethane 95.77
    benzonitrile 54.63
    trioctyl phosphate 27.41
    1-bromopropane 20.91
    gamma-valerolactone 267.93
    n-decanol 37.55
    triethyl phosphate 23.46
    4-methyl-2-pentanol 48.38
    propionitrile 82.34
    vinylene carbonate 104.96
    1,1,2-trichlorotrifluoroethane 200.98
    DMS 53.35
    cumene 7.79
    2-octanol 33.48
    2-hexanone 60.24
    octyl acetate 38.44
    limonene 15.47
    1,2-dimethoxyethane 196.65
    ethyl orthosilicate 22.62
    tributyl phosphate 33.71
    diacetone alcohol 109.23
    N,N-dimethylaniline 26.82
    acrylonitrile 114.75
    aniline 41.8
    1,3-propanediol 335.07
    bromobenzene 14.86
    dibromomethane 45.62
    1,1,2,2-tetrachloroethane 90.92
    2-methyl-cyclohexyl acetate 36.45
    tetrabutyl urea 42.93
    diisobutyl methanol 24.41
    2-phenylethanol 55.14
    styrene 6.78
    dioctyl adipate 44.87
    dimethyl sulfate 62.88
    ethyl butyrate 36.26
    methyl lactate 84.35
    butyl lactate 55.24
    diethyl carbonate 25.11
    propanediol butyl ether 163.28
    triethyl orthoformate 31.71
    p-tert-butyltoluene 10.79
    methyl 4-tert-butylbenzoate 61.26
    morpholine 296.5
    tert-butylamine 85.17
    n-dodecanol 26.58
    dimethoxymethane 130.47
    ethylene carbonate 83.46
    cyrene 99.8
    2-ethoxyethyl acetate 70.93
    2-ethylhexyl acetate 30.75
    1,2,4-trichlorobenzene 38.43
    4-methylpyridine 54.07
    dibutyl ether 38.96
    2,6-dimethyl-4-heptanol 24.41
    DEF 96.55
    dimethyl isosorbide 146.38
    tetrachloroethylene 63.8
    eugenol 73.5
    triacetin 89.35
    span 80 114.46
    1,4-butanediol 140.0
    1,1-dichloroethane 44.15
    2-methyl-1-pentanol 74.8
    methyl formate 159.71
    2-methyl-1-butanol 94.46
    n-decane 3.91
    butyronitrile 79.2
    3,7-dimethyl-1-octanol 51.7
    1-chlorooctane 17.46
    1-chlorotetradecane 6.79
    n-nonane 3.52
    undecane 2.95
    tert-butylcyclohexane 3.62
    cyclooctane 1.88
    cyclopentanol 156.63
    tetrahydropyran 131.7
    tert-amyl methyl ether 37.0
    2,5,8-trioxanonane 209.46
    1-hexene 14.56
    2-isopropoxyethanol 120.29
    2,2,2-trifluoroethanol 243.17
    methyl butyrate 52.66

    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