4-(1,2-Dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

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  • Identifiers

    CAS number
    5581-31-7

    Molecular formula
    C10H20O4

    SMILES
    CC1(CCC(CC1O)C(C)(CO)O)O

  • Odor profile

    Fragrance
    Odorless 52.96%
    Sweet 48.27%
    Creamy 24.23%
    Woody 21.19%
    Alcoholic 20.99%
    Mint 20.58%
    Cooling 20.44%
    Milky 20.38%
    Vanilla 19.2%
    Balsamic 18.77%

     

    Flavor
    Sweet 53.39%
    Odorless 48.67%
    Bitter 31.07%
    Herbal 27.25%
    Sweet-like 27.17%
    Fruity 25.61%
    Minty 25.14%
    Fruit 23.75%
    Very slight 23.09%
    Buttery 22.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    8.46 (weak base)

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    447°C

    Flash point

    • 182.41 ˚C est.

  • Synonyms

    • 5581-31-7
    • 4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
    • p-menthane-1,2,8,9-tetrol
    • 2APP4GX8DS
    • (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol
    • 4-(1,2-Dihydroxy-1-methylethyl)-1-methylcyclohexane-1,2-diol
    • EINECS 226-974-9
    • UNII-2APP4GX8DS
    • SCHEMBL21093916
    • DTXSID50971211
    • CHEBI:169020
    • QEFNQQRVZDFDIJ-UHFFFAOYSA-N
    • NS00044812
    • 1,2-CYCLOHEXANEDIOL, 4-(1,2-DIHYDROXY-1-METHYLETHYL)-1-METHYL-
    • 4-(1,2-DIHYDROXY-1-METHYLETHYL)-1-METHYL-1,2-CYCLOHEXANEDIOL

  • Applications

    4-(1,2-Dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol (CAS 5581-31-7) is primarily used as a polyol-type intermediate in organic synthesis, providing a difunctional diol building block for polyurethanes, polyesters, and other polymer systems. Its multiple hydroxyl groups enable use as a crosslinking or curing agent in coatings, inks, and adhesive formulations. It is also evaluated as a specialty intermediate for pharmaceutical and agrochemical syntheses, and may be employed as a cosmetic/personal care formulation additive as a polyol to aid moisture retention. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.23
    methanol 317.1
    isopropanol 32.8
    water 172.88
    ethyl acetate 11.5
    n-propanol 41.05
    acetone 16.16
    n-butanol 33.08
    acetonitrile 9.74
    DMF 196.33
    toluene 3.06
    isobutanol 20.49
    1,4-dioxane 96.44
    methyl acetate 7.89
    THF 142.97
    2-butanone 8.76
    n-pentanol 14.28
    sec-butanol 19.29
    n-hexane 0.97
    ethylene glycol 193.12
    NMP 141.42
    cyclohexane 3.66
    DMSO 306.29
    n-butyl acetate 4.96
    n-octanol 12.29
    chloroform 5.63
    n-propyl acetate 5.94
    acetic acid 150.24
    dichloromethane 6.36
    cyclohexanone 31.11
    propylene glycol 114.91
    isopropyl acetate 10.09
    DMAc 123.39
    2-ethoxyethanol 110.48
    isopentanol 22.33
    n-heptane 2.33
    ethyl formate 17.93
    1,2-dichloroethane 4.93
    n-hexanol 16.65
    2-methoxyethanol 281.03
    isobutyl acetate 3.94
    tetrachloromethane 3.36
    n-pentyl acetate 6.74
    transcutol 129.76
    n-heptanol 15.99
    ethylbenzene 2.55
    MIBK 13.16
    2-propoxyethanol 76.67
    tert-butanol 42.17
    MTBE 9.86
    2-butoxyethanol 48.37
    propionic acid 39.19
    o-xylene 5.32
    formic acid 482.07
    diethyl ether 11.67
    m-xylene 5.1
    p-xylene 3.46
    chlorobenzene 2.85
    dimethyl carbonate 16.83
    n-octane 1.25
    formamide 420.8
    cyclopentanone 54.35
    2-pentanone 13.09
    anisole 9.17
    cyclopentyl methyl ether 33.13
    gamma-butyrolactone 72.08
    1-methoxy-2-propanol 142.93
    pyridine 16.59
    3-pentanone 8.2
    furfural 69.61
    n-dodecane 0.75
    diethylene glycol 147.61
    diisopropyl ether 5.05
    tert-amyl alcohol 25.79
    acetylacetone 29.16
    n-hexadecane 0.81
    acetophenone 12.94
    methyl propionate 14.35
    isopentyl acetate 6.36
    trichloroethylene 8.41
    n-nonanol 11.63
    cyclohexanol 27.71
    benzyl alcohol 17.56
    2-ethylhexanol 8.29
    isooctanol 12.07
    dipropyl ether 9.41
    1,2-dichlorobenzene 3.73
    ethyl lactate 17.45
    propylene carbonate 29.82
    n-methylformamide 129.16
    2-pentanol 15.4
    n-pentane 1.34
    1-propoxy-2-propanol 39.49
    1-methoxy-2-propyl acetate 19.47
    2-(2-methoxypropoxy) propanol 36.35
    mesitylene 4.71
    ε-caprolactone 32.46
    p-cymene 3.52
    epichlorohydrin 44.79
    1,1,1-trichloroethane 3.06
    2-aminoethanol 196.11
    morpholine-4-carbaldehyde 176.25
    sulfolane 133.9
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 40.59
    n-hexyl acetate 10.33
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 58.55
    sec-butyl acetate 4.65
    tert-butyl acetate 15.48
    decalin 1.26
    glycerin 286.81
    diglyme 99.43
    acrylic acid 51.82
    isopropyl myristate 4.49
    n-butyric acid 41.81
    acetyl acetate 11.93
    di(2-ethylhexyl) phthalate 8.43
    ethyl propionate 7.09
    nitromethane 99.39
    1,2-diethoxyethane 15.02
    benzonitrile 7.08
    trioctyl phosphate 7.07
    1-bromopropane 2.08
    gamma-valerolactone 113.78
    n-decanol 7.95
    triethyl phosphate 6.95
    4-methyl-2-pentanol 11.34
    propionitrile 6.35
    vinylene carbonate 25.19
    1,1,2-trichlorotrifluoroethane 81.51
    DMS 9.85
    cumene 2.84
    2-octanol 7.95
    2-hexanone 5.9
    octyl acetate 6.4
    limonene 5.15
    1,2-dimethoxyethane 89.32
    ethyl orthosilicate 7.21
    tributyl phosphate 5.99
    diacetone alcohol 43.0
    N,N-dimethylaniline 11.63
    acrylonitrile 11.36
    aniline 12.64
    1,3-propanediol 197.33
    bromobenzene 2.04
    dibromomethane 3.36
    1,1,2,2-tetrachloroethane 9.77
    2-methyl-cyclohexyl acetate 8.57
    tetrabutyl urea 9.95
    diisobutyl methanol 7.61
    2-phenylethanol 14.47
    styrene 2.38
    dioctyl adipate 8.24
    dimethyl sulfate 40.23
    ethyl butyrate 6.4
    methyl lactate 45.26
    butyl lactate 14.1
    diethyl carbonate 4.47
    propanediol butyl ether 47.76
    triethyl orthoformate 8.1
    p-tert-butyltoluene 3.97
    methyl 4-tert-butylbenzoate 22.21
    morpholine 121.98
    tert-butylamine 15.48
    n-dodecanol 5.61
    dimethoxymethane 92.29
    ethylene carbonate 21.38
    cyrene 56.74
    2-ethoxyethyl acetate 12.73
    2-ethylhexyl acetate 4.39
    1,2,4-trichlorobenzene 5.55
    4-methylpyridine 11.5
    dibutyl ether 5.6
    2,6-dimethyl-4-heptanol 7.61
    DEF 35.94
    dimethyl isosorbide 57.49
    tetrachloroethylene 11.47
    eugenol 25.14
    triacetin 16.66
    span 80 32.51
    1,4-butanediol 60.81
    1,1-dichloroethane 2.28
    2-methyl-1-pentanol 11.41
    methyl formate 79.06
    2-methyl-1-butanol 18.32
    n-decane 1.32
    butyronitrile 8.7
    3,7-dimethyl-1-octanol 9.72
    1-chlorooctane 3.02
    1-chlorotetradecane 1.34
    n-nonane 1.25
    undecane 0.95
    tert-butylcyclohexane 0.98
    cyclooctane 2.08
    cyclopentanol 40.23
    tetrahydropyran 31.52
    tert-amyl methyl ether 10.4
    2,5,8-trioxanonane 74.33
    1-hexene 1.81
    2-isopropoxyethanol 45.76
    2,2,2-trifluoroethanol 74.28
    methyl butyrate 9.89

    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