1,2-Cyclohexanediol

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  • Identifiers

    CAS number
    931-17-9

    Molecular formula
    C6H12O2

    SMILES
    C1CCC(C(C1)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 42.95%
    Caramellic 39.56%
    Odorless 39.19%
    Solvent 28.16%
    Alcoholic 27.4%
    Woody 25.11%
    Fishy 24.36%
    Phenolic 24.27%
    Musty 22.35%
    Oily 21.47%

     

    Flavor
    Sweet 47.67%
    Bitter 32.35%
    Odorless 30.81%
    Caramel 26.82%
    Cauliflower 24.39%
    Sweet-like 23.37%
    Warm 22.16%
    Alkaline 21.73%
    Minty 21.69%
    Mentholic 21.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.46 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    235°C

    Flash point

    • 107.4 ˚C est.

  • Synonyms

    • 1,2-CYCLOHEXANEDIOL
    • Cyclohexane-1,2-diol
    • 931-17-9
    • 2-Hydroxycyclohexanol
    • 1,2-Dihydroxycyclohexane
    • CHEBI:24567
    • DTXSID50871843
    • P27V53MH26
    • NSC-10110
    • RefChem:71762
    • DTXCID80212720
    • 213-229-8
    • Pyrocatechitol
    • Brenzkatechin
    • 1,2-Benzenediol, hexahydro-
    • MFCD00003861
    • 1,2-Cyclohexanediol, cis + trans
    • 1,2-trans-Cyclohexanediol
    • Brenzkatechin [German]
    • 54383-22-1
    • trans-1,2-cyclohexandiol
    • trans-2-Hydroxycyclohexanol
    • EINECS 213-229-8
    • NSC 10110
    • BRN 2036627
    • (+/-)-trans-1,2-cyclohexanediol
    • AI3-06457
    • Hexahydrocatechol
    • 1,2-cyclohexane-diol
    • 1,a2-aCyclohexanediol
    • 1,2-Cyclohexanediol,c&t
    • SCHEMBL33549
    • 2-06-00-00744 (Beilstein Handbook Reference)
    • SCHEMBL181080
    • SCHEMBL701953
    • SCHEMBL974915
    • UNII-P27V53MH26
    • 1,2-Cyclohexanediol cis-trans
    • 1,2-trans-Dihydroxycyclohexane
    • orb3023654
    • SCHEMBL1143998
    • SCHEMBL1378944
    • I+/--Cyclohexandiol-(1,2)
    • (cis/trans)-cyclohexane-1,2-diol
    • BB_SC-01999
    • NSC10110
    • NSC34836
    • NSC52143
    • BBL027442
    • FD9018
    • NSC-52143
    • NSC150568
    • STL257460
    • AKOS009156389
    • EBC-459064
    • SB45386
    • SB46763
    • AS-57309
    • SY048834
    • DB-042819
    • DB-044357
    • DB-057369
    • DB-059594
    • DB-072373
    • C1802
    • CS-0155355
    • NS00079965
    • ST45027628
    • EN300-96148
    • 1,2-Cyclohexanediol (cis- and?trans- mixture)
    • F324917
    • Q15410906
    • Z600453486
    • InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H
    • 931-17-9

  • Applications

    1,2-Cyclohexanediol (CAS 931-17-9) is used as a building block in the synthesis of pharmaceuticals and other fine chemicals, where its cyclohexan-1,2-diol framework provides a versatile chiral or reactive intermediate; it is also employed as a diol-based monomer or crosslinking component in polymers and coatings, enabling polyurethane and polyester formulations with targeted properties; in coatings and inks, it can participate as a reactive diol in resin formation; in fragrance and flavor applications, it may serve as an odor-related intermediate or carrier compound; and within specialty chemicals, it is often evaluated as a processing aid or intermediate for agrochemical and related product syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.88
    methanol 270.11
    isopropanol 61.56
    water 15.12
    ethyl acetate 24.98
    n-propanol 89.11
    acetone 22.41
    n-butanol 84.0
    acetonitrile 21.17
    DMF 39.8
    toluene 3.4
    isobutanol 48.47
    1,4-dioxane 63.72
    methyl acetate 21.34
    THF 134.9
    2-butanone 20.23
    n-pentanol 40.82
    sec-butanol 44.08
    n-hexane 3.54
    ethylene glycol 57.18
    NMP 83.24
    cyclohexane 4.64
    DMSO 144.53
    n-butyl acetate 36.91
    n-octanol 27.18
    chloroform 49.87
    n-propyl acetate 21.36
    acetic acid 178.79
    dichloromethane 33.93
    cyclohexanone 57.17
    propylene glycol 43.33
    isopropyl acetate 16.37
    DMAc 32.36
    2-ethoxyethanol 73.83
    isopentanol 56.18
    n-heptane 7.16
    ethyl formate 35.39
    1,2-dichloroethane 21.0
    n-hexanol 59.63
    2-methoxyethanol 143.3
    isobutyl acetate 13.67
    tetrachloromethane 14.62
    n-pentyl acetate 27.69
    transcutol 226.83
    n-heptanol 38.36
    ethylbenzene 3.31
    MIBK 17.41
    2-propoxyethanol 94.33
    tert-butanol 58.46
    MTBE 18.04
    2-butoxyethanol 71.37
    propionic acid 89.66
    o-xylene 5.04
    formic acid 156.46
    diethyl ether 22.19
    m-xylene 4.96
    p-xylene 4.95
    chlorobenzene 10.9
    dimethyl carbonate 6.37
    n-octane 3.26
    formamide 147.35
    cyclopentanone 82.7
    2-pentanone 21.53
    anisole 10.56
    cyclopentyl methyl ether 38.58
    gamma-butyrolactone 125.46
    1-methoxy-2-propanol 75.22
    pyridine 32.49
    3-pentanone 12.48
    furfural 99.21
    n-dodecane 2.2
    diethylene glycol 98.63
    diisopropyl ether 8.77
    tert-amyl alcohol 46.03
    acetylacetone 24.46
    n-hexadecane 2.33
    acetophenone 15.46
    methyl propionate 18.05
    isopentyl acetate 30.48
    trichloroethylene 42.09
    n-nonanol 24.54
    cyclohexanol 45.89
    benzyl alcohol 18.31
    2-ethylhexanol 30.82
    isooctanol 30.43
    dipropyl ether 26.56
    1,2-dichlorobenzene 13.73
    ethyl lactate 18.85
    propylene carbonate 59.69
    n-methylformamide 73.64
    2-pentanol 36.7
    n-pentane 4.28
    1-propoxy-2-propanol 69.94
    1-methoxy-2-propyl acetate 32.33
    2-(2-methoxypropoxy) propanol 48.65
    mesitylene 5.08
    ε-caprolactone 63.29
    p-cymene 8.0
    epichlorohydrin 68.33
    1,1,1-trichloroethane 17.77
    2-aminoethanol 95.79
    morpholine-4-carbaldehyde 79.66
    sulfolane 141.48
    2,2,4-trimethylpentane 3.09
    2-methyltetrahydrofuran 63.8
    n-hexyl acetate 33.09
    isooctane 2.99
    2-(2-butoxyethoxy)ethanol 81.18
    sec-butyl acetate 12.46
    tert-butyl acetate 21.11
    decalin 2.94
    glycerin 86.84
    diglyme 114.4
    acrylic acid 80.96
    isopropyl myristate 13.9
    n-butyric acid 112.24
    acetyl acetate 17.45
    di(2-ethylhexyl) phthalate 17.37
    ethyl propionate 14.53
    nitromethane 113.91
    1,2-diethoxyethane 43.73
    benzonitrile 20.63
    trioctyl phosphate 15.57
    1-bromopropane 11.42
    gamma-valerolactone 111.12
    n-decanol 17.74
    triethyl phosphate 14.74
    4-methyl-2-pentanol 23.41
    propionitrile 22.32
    vinylene carbonate 46.33
    1,1,2-trichlorotrifluoroethane 80.01
    DMS 17.12
    cumene 4.84
    2-octanol 20.98
    2-hexanone 18.73
    octyl acetate 17.7
    limonene 12.12
    1,2-dimethoxyethane 62.07
    ethyl orthosilicate 15.55
    tributyl phosphate 17.6
    diacetone alcohol 40.14
    N,N-dimethylaniline 10.0
    acrylonitrile 29.79
    aniline 17.51
    1,3-propanediol 124.69
    bromobenzene 7.75
    dibromomethane 22.35
    1,1,2,2-tetrachloroethane 41.41
    2-methyl-cyclohexyl acetate 25.03
    tetrabutyl urea 19.47
    diisobutyl methanol 21.09
    2-phenylethanol 26.99
    styrene 3.47
    dioctyl adipate 20.84
    dimethyl sulfate 16.29
    ethyl butyrate 26.63
    methyl lactate 23.21
    butyl lactate 33.87
    diethyl carbonate 15.33
    propanediol butyl ether 58.83
    triethyl orthoformate 23.33
    p-tert-butyltoluene 8.37
    methyl 4-tert-butylbenzoate 30.42
    morpholine 81.88
    tert-butylamine 35.24
    n-dodecanol 13.29
    dimethoxymethane 27.07
    ethylene carbonate 39.14
    cyrene 43.23
    2-ethoxyethyl acetate 32.84
    2-ethylhexyl acetate 23.12
    1,2,4-trichlorobenzene 16.04
    4-methylpyridine 18.96
    dibutyl ether 21.27
    2,6-dimethyl-4-heptanol 21.09
    DEF 26.51
    dimethyl isosorbide 73.85
    tetrachloroethylene 42.92
    eugenol 34.84
    triacetin 33.8
    span 80 50.91
    1,4-butanediol 43.33
    1,1-dichloroethane 13.97
    2-methyl-1-pentanol 30.87
    methyl formate 40.16
    2-methyl-1-butanol 48.03
    n-decane 3.74
    butyronitrile 29.64
    3,7-dimethyl-1-octanol 26.63
    1-chlorooctane 10.81
    1-chlorotetradecane 4.66
    n-nonane 3.57
    undecane 2.74
    tert-butylcyclohexane 3.3
    cyclooctane 2.6
    cyclopentanol 67.19
    tetrahydropyran 47.37
    tert-amyl methyl ether 16.93
    2,5,8-trioxanonane 85.93
    1-hexene 8.15
    2-isopropoxyethanol 41.58
    2,2,2-trifluoroethanol 71.94
    methyl butyrate 24.08

    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