Bis[5-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] carbonate

  • Identifiers

    Molecular formula
    C27H50O5

    SMILES
    CC(C)C1CCC(CC1OC(=O)OC2CC(CCC2C(C)C)(C)CC(C)O)(C)CC(C)O

  • Odor profile

    Fragrance
    Mint 46.12%
    Floral 44.83%
    Woody 44.38%
    Herbal 41.6%
    Odorless 35.39%
    Cooling 35.2%
    Balsamic 34.67%
    Fresh 32.09%
    Pine 25.65%
    Sweet 25.62%

     

    Flavor
    Fruity 42.62%
    Herbal 39.57%
    Green 39.34%
    Tropical 36.24%
    Sweet 34.18%
    Minty 31.99%
    Woody 31.41%
    Mild 30.35%
    Floral 28.64%
    Herb 25.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    6.69 (neutral)

    Molecular weight
    454.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    150°C

    Flash point

    • 190.9 ˚C est.

  • Synonyms

    • SCHEMBL1199310
  • Applications

    Bis[5-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] carbonate is used as a di-functional carbonate building block in polymer and plastics formulations, acting as a monomer or crosslinking component to form polycarbonate networks and high-temperature resistant polymer systems. In coatings and inks, it is often employed as a reactive linker or reactive diluent for UV-curable and thermally cured systems, helping to tune adhesion and film hardness. In industrial adhesives and sealants, it can serve as a reactive-adding component or viscosity-reducing diluent to optimize processing and final bond strength. In electronics, it is considered as a precursor for coatings or encapsulation/potting materials due to its thermal and chemical stability. Additional applications depend on formulation and local regulations, but it is commonly evaluated as a building block for specialty polymers and industrial plastic systems. CAS number:

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 127.22
    methanol 145.66
    isopropanol 59.79
    water 1.21
    ethyl acetate 126.54
    n-propanol 102.09
    acetone 151.28
    n-butanol 63.26
    acetonitrile 39.42
    DMF 295.65
    toluene 78.41
    isobutanol 69.12
    1,4-dioxane 250.67
    methyl acetate 105.92
    THF 762.21
    2-butanone 133.0
    n-pentanol 66.4
    sec-butanol 56.36
    n-hexane 6.77
    ethylene glycol 22.66
    NMP 765.38
    cyclohexane 8.79
    DMSO 349.34
    n-butyl acetate 130.54
    n-octanol 60.4
    chloroform 266.28
    n-propyl acetate 107.05
    acetic acid 283.9
    dichloromethane 267.9
    cyclohexanone 287.57
    propylene glycol 56.28
    isopropyl acetate 104.32
    DMAc 426.51
    2-ethoxyethanol 156.33
    isopentanol 52.97
    n-heptane 6.5
    ethyl formate 78.95
    1,2-dichloroethane 159.44
    n-hexanol 76.59
    2-methoxyethanol 225.83
    isobutyl acetate 98.48
    tetrachloromethane 41.2
    n-pentyl acetate 154.35
    transcutol 604.0
    n-heptanol 70.22
    ethylbenzene 38.12
    MIBK 87.42
    2-propoxyethanol 252.4
    tert-butanol 60.33
    MTBE 56.4
    2-butoxyethanol 191.38
    propionic acid 148.52
    o-xylene 54.27
    formic acid 128.26
    diethyl ether 64.4
    m-xylene 65.57
    p-xylene 57.64
    chlorobenzene 104.05
    dimethyl carbonate 88.29
    n-octane 3.46
    formamide 131.88
    cyclopentanone 464.18
    2-pentanone 110.87
    anisole 78.38
    cyclopentyl methyl ether 251.69
    gamma-butyrolactone 634.87
    1-methoxy-2-propanol 203.32
    pyridine 212.84
    3-pentanone 102.83
    furfural 336.23
    n-dodecane 2.49
    diethylene glycol 141.77
    diisopropyl ether 26.98
    tert-amyl alcohol 57.66
    acetylacetone 172.87
    n-hexadecane 2.92
    acetophenone 112.89
    methyl propionate 145.15
    isopentyl acetate 128.92
    trichloroethylene 332.17
    n-nonanol 62.41
    cyclohexanol 87.34
    benzyl alcohol 86.68
    2-ethylhexanol 52.47
    isooctanol 58.95
    dipropyl ether 65.74
    1,2-dichlorobenzene 99.34
    ethyl lactate 74.79
    propylene carbonate 266.85
    n-methylformamide 160.68
    2-pentanol 40.07
    n-pentane 5.16
    1-propoxy-2-propanol 187.36
    1-methoxy-2-propyl acetate 207.78
    2-(2-methoxypropoxy) propanol 177.87
    mesitylene 39.47
    ε-caprolactone 333.37
    p-cymene 37.25
    epichlorohydrin 494.97
    1,1,1-trichloroethane 133.26
    2-aminoethanol 75.74
    morpholine-4-carbaldehyde 499.71
    sulfolane 797.01
    2,2,4-trimethylpentane 5.0
    2-methyltetrahydrofuran 327.22
    n-hexyl acetate 174.22
    isooctane 3.52
    2-(2-butoxyethoxy)ethanol 254.85
    sec-butyl acetate 80.55
    tert-butyl acetate 126.28
    decalin 8.35
    glycerin 88.83
    diglyme 378.65
    acrylic acid 140.13
    isopropyl myristate 57.15
    n-butyric acid 158.15
    acetyl acetate 96.47
    di(2-ethylhexyl) phthalate 83.03
    ethyl propionate 93.4
    nitromethane 283.44
    1,2-diethoxyethane 147.41
    benzonitrile 76.35
    trioctyl phosphate 59.28
    1-bromopropane 71.16
    gamma-valerolactone 660.14
    n-decanol 40.63
    triethyl phosphate 59.05
    4-methyl-2-pentanol 32.32
    propionitrile 42.17
    vinylene carbonate 213.57
    1,1,2-trichlorotrifluoroethane 320.39
    DMS 155.15
    cumene 31.26
    2-octanol 44.31
    2-hexanone 98.8
    octyl acetate 86.13
    limonene 51.73
    1,2-dimethoxyethane 171.65
    ethyl orthosilicate 57.68
    tributyl phosphate 61.96
    diacetone alcohol 147.9
    N,N-dimethylaniline 68.23
    acrylonitrile 57.41
    aniline 98.12
    1,3-propanediol 95.17
    bromobenzene 103.11
    dibromomethane 155.19
    1,1,2,2-tetrachloroethane 253.0
    2-methyl-cyclohexyl acetate 118.56
    tetrabutyl urea 86.1
    diisobutyl methanol 29.61
    2-phenylethanol 110.5
    styrene 39.75
    dioctyl adipate 100.05
    dimethyl sulfate 187.93
    ethyl butyrate 93.8
    methyl lactate 111.44
    butyl lactate 143.67
    diethyl carbonate 59.12
    propanediol butyl ether 196.06
    triethyl orthoformate 81.73
    p-tert-butyltoluene 38.91
    methyl 4-tert-butylbenzoate 180.2
    morpholine 344.94
    tert-butylamine 29.55
    n-dodecanol 26.53
    dimethoxymethane 228.65
    ethylene carbonate 176.42
    cyrene 194.93
    2-ethoxyethyl acetate 224.37
    2-ethylhexyl acetate 110.22
    1,2,4-trichlorobenzene 156.98
    4-methylpyridine 175.85
    dibutyl ether 49.05
    2,6-dimethyl-4-heptanol 29.61
    DEF 160.24
    dimethyl isosorbide 351.17
    tetrachloroethylene 179.85
    eugenol 146.14
    triacetin 215.87
    span 80 174.42
    1,4-butanediol 45.84
    1,1-dichloroethane 114.75
    2-methyl-1-pentanol 54.58
    methyl formate 121.83
    2-methyl-1-butanol 59.05
    n-decane 5.02
    butyronitrile 41.9
    3,7-dimethyl-1-octanol 53.72
    1-chlorooctane 30.76
    1-chlorotetradecane 10.21
    n-nonane 4.49
    undecane 3.34
    tert-butylcyclohexane 7.82
    cyclooctane 4.54
    cyclopentanol 149.18
    tetrahydropyran 202.13
    tert-amyl methyl ether 61.14
    2,5,8-trioxanonane 237.08
    1-hexene 23.19
    2-isopropoxyethanol 123.04
    2,2,2-trifluoroethanol 105.34
    methyl butyrate 110.95

    Scent© AI

1 of 4
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