2-Hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate

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  • Identifiers

    CAS number
    156324-82-2

    Molecular formula
    C14H26O4

    SMILES
    CC1CCC(C(C1)OC(=O)OCC(C)O)C(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 55.56%
    Mint 53.18%
    Cooling 42.78%
    Fresh 34.57%
    Herbal 32.24%
    Floral 31.98%
    Fruity 25.85%
    Balsamic 23.44%
    Woody 18.48%
    Pine 18.26%

     

    Flavor
    Fruity 70.42%
    Tropical 37.85%
    Sweet 34.79%
    Fruit 33.01%
    Herbal 31.85%
    Green 28.85%
    Berry 26.35%
    Mild 25.86%
    Waxy 25.31%
    Bitter 24.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.55 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    298°C

    Flash point

    • 133.58 ˚C est.

    Solubility expt.

    • Soluble in most fixed oils, isooctanol, propylene glycol; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 156324-82-2
    • Carbonic acid, 2-hydroxypropyl 5-methyl-2-(1-methylethyl)cyclohexyl ester
    • 2-hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
    • 2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate
    • 1-[({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]propan-2-ol
    • DTXSID70888756
    • SCHEMBL111203
    • CHEBI:172095
    • FLYJSXDJKBHQAU-UHFFFAOYSA-N
    • NS00009298

  • Applications

    2-Hydroxypropyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate (CAS 156324-82-2) is used primarily as an intermediate and solvent in chemical synthesis, and can function as a reactive-diluent or processing aid in coatings, inks, and adhesives; it may serve as a plasticizer or processing solvent for polymers during fabrication; it is employed in cleaning formulations and industrial formulation solvents; and may be considered a specialty solvent or formulation component for other processing applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1709.32
    methanol 2186.0
    isopropanol 1212.33
    water 1.64
    ethyl acetate 710.1
    n-propanol 993.27
    acetone 832.19
    n-butanol 833.97
    acetonitrile 342.93
    DMF 895.19
    toluene 158.64
    isobutanol 661.26
    1,4-dioxane 1105.85
    methyl acetate 504.28
    THF 1581.93
    2-butanone 579.98
    n-pentanol 476.14
    sec-butanol 806.33
    n-hexane 18.98
    ethylene glycol 192.83
    NMP 797.33
    cyclohexane 46.46
    DMSO 1057.63
    n-butyl acetate 544.15
    n-octanol 173.58
    chloroform 868.24
    n-propyl acetate 328.16
    acetic acid 1104.43
    dichloromethane 763.25
    cyclohexanone 859.43
    propylene glycol 342.44
    isopropyl acetate 496.34
    DMAc 730.93
    2-ethoxyethanol 715.72
    isopentanol 686.96
    n-heptane 9.18
    ethyl formate 379.31
    1,2-dichloroethane 595.22
    n-hexanol 481.39
    2-methoxyethanol 1435.26
    isobutyl acetate 247.82
    tetrachloromethane 100.16
    n-pentyl acetate 269.46
    transcutol 1673.24
    n-heptanol 202.23
    ethylbenzene 97.22
    MIBK 375.78
    2-propoxyethanol 848.08
    tert-butanol 1128.12
    MTBE 604.17
    2-butoxyethanol 458.37
    propionic acid 564.92
    o-xylene 129.19
    formic acid 445.42
    diethyl ether 442.24
    m-xylene 141.29
    p-xylene 149.06
    chlorobenzene 268.0
    dimethyl carbonate 152.29
    n-octane 7.17
    formamide 549.67
    cyclopentanone 937.36
    2-pentanone 524.7
    anisole 236.71
    cyclopentyl methyl ether 536.42
    gamma-butyrolactone 1037.47
    1-methoxy-2-propanol 988.58
    pyridine 534.5
    3-pentanone 279.6
    furfural 701.84
    n-dodecane 7.27
    diethylene glycol 593.96
    diisopropyl ether 138.83
    tert-amyl alcohol 829.23
    acetylacetone 621.29
    n-hexadecane 8.33
    acetophenone 253.33
    methyl propionate 403.64
    isopentyl acetate 517.06
    trichloroethylene 1036.98
    n-nonanol 153.72
    cyclohexanol 610.8
    benzyl alcohol 263.87
    2-ethylhexanol 219.52
    isooctanol 167.52
    dipropyl ether 149.17
    1,2-dichlorobenzene 247.56
    ethyl lactate 163.73
    propylene carbonate 571.79
    n-methylformamide 516.97
    2-pentanol 529.89
    n-pentane 20.42
    1-propoxy-2-propanol 518.8
    1-methoxy-2-propyl acetate 504.63
    2-(2-methoxypropoxy) propanol 345.23
    mesitylene 92.3
    ε-caprolactone 815.46
    p-cymene 72.41
    epichlorohydrin 1166.83
    1,1,1-trichloroethane 446.96
    2-aminoethanol 523.54
    morpholine-4-carbaldehyde 885.29
    sulfolane 1010.09
    2,2,4-trimethylpentane 20.65
    2-methyltetrahydrofuran 1095.15
    n-hexyl acetate 359.92
    isooctane 16.3
    2-(2-butoxyethoxy)ethanol 562.48
    sec-butyl acetate 264.49
    tert-butyl acetate 493.29
    decalin 27.55
    glycerin 399.44
    diglyme 876.04
    acrylic acid 393.16
    isopropyl myristate 119.97
    n-butyric acid 982.06
    acetyl acetate 386.22
    di(2-ethylhexyl) phthalate 144.62
    ethyl propionate 251.06
    nitromethane 1003.06
    1,2-diethoxyethane 444.35
    benzonitrile 249.55
    trioctyl phosphate 108.71
    1-bromopropane 293.14
    gamma-valerolactone 1348.61
    n-decanol 110.95
    triethyl phosphate 114.2
    4-methyl-2-pentanol 286.94
    propionitrile 273.14
    vinylene carbonate 430.23
    1,1,2-trichlorotrifluoroethane 728.69
    DMS 261.26
    cumene 80.16
    2-octanol 135.91
    2-hexanone 295.33
    octyl acetate 168.32
    limonene 114.77
    1,2-dimethoxyethane 831.88
    ethyl orthosilicate 120.01
    tributyl phosphate 131.77
    diacetone alcohol 619.68
    N,N-dimethylaniline 164.02
    acrylonitrile 278.75
    aniline 310.77
    1,3-propanediol 882.3
    bromobenzene 243.17
    dibromomethane 486.95
    1,1,2,2-tetrachloroethane 951.58
    2-methyl-cyclohexyl acetate 246.29
    tetrabutyl urea 154.38
    diisobutyl methanol 120.36
    2-phenylethanol 304.19
    styrene 114.0
    dioctyl adipate 187.07
    dimethyl sulfate 239.16
    ethyl butyrate 267.06
    methyl lactate 239.33
    butyl lactate 257.17
    diethyl carbonate 162.43
    propanediol butyl ether 429.88
    triethyl orthoformate 179.47
    p-tert-butyltoluene 73.19
    methyl 4-tert-butylbenzoate 261.32
    morpholine 1461.82
    tert-butylamine 509.53
    n-dodecanol 79.79
    dimethoxymethane 546.11
    ethylene carbonate 416.68
    cyrene 307.92
    2-ethoxyethyl acetate 414.37
    2-ethylhexyl acetate 359.14
    1,2,4-trichlorobenzene 302.46
    4-methylpyridine 531.48
    dibutyl ether 140.58
    2,6-dimethyl-4-heptanol 120.36
    DEF 521.92
    dimethyl isosorbide 532.2
    tetrachloroethylene 573.53
    eugenol 270.26
    triacetin 287.0
    span 80 331.22
    1,4-butanediol 291.58
    1,1-dichloroethane 570.9
    2-methyl-1-pentanol 452.43
    methyl formate 349.47
    2-methyl-1-butanol 564.16
    n-decane 11.38
    butyronitrile 359.19
    3,7-dimethyl-1-octanol 188.75
    1-chlorooctane 76.03
    1-chlorotetradecane 30.33
    n-nonane 10.08
    undecane 8.79
    tert-butylcyclohexane 24.63
    cyclooctane 13.59
    cyclopentanol 645.27
    tetrahydropyran 983.28
    tert-amyl methyl ether 381.06
    2,5,8-trioxanonane 551.27
    1-hexene 101.18
    2-isopropoxyethanol 478.51
    2,2,2-trifluoroethanol 304.26
    methyl butyrate 377.61

    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