Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester

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  • Identifiers

    CAS number
    67801-64-3

    Molecular formula
    C13H24O3

    SMILES
    CCOC(=O)OC1CCCCC1C(C)(C)C

  • Odor profile

    Fragrance
    Woody 75.44%
    Herbal 73.41%
    Green 71.16%
    Floral 66.11%
    Fruity 50.06%
    Spicy 49.38%
    Fresh 47.91%
    Balsamic 45.04%
    Pine 41.61%
    Rose 33.23%

     

    Flavor
    Fruity 59.25%
    Green 46.72%
    Bitter 44.57%
    Herbal 42.97%
    Sweet 41.65%
    Fruit 41.02%
    Tropical 37.09%
    Rose 31.32%
    Citrus 29.53%
    Balsam 28.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.27 (neutral)

    Molecular weight
    228.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    258°C

    Flash point

    • 109.71 ˚C est.

  • Synonyms

    • 2-tert-Butylcyclohexyl ethyl carbonate
    • 67801-64-3
    • (2-tert-butylcyclohexyl) ethyl carbonate
    • EINECS 267-184-4
    • Ethyl 2-tert-butylcyclohexylcarbonate
    • Ethyl 2-tert-butylcyclohexyl carbonate
    • 2-(tert-Butyl)cyclohexyl ethyl carbonate
    • Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester
    • DTXSID6052376
    • floramat
    • SCHEMBL873621
    • DTXCID6030948
    • ZHWLEUGSDGROJS-UHFFFAOYSA-N
    • 2-(tert-Butyl)cyclohexylethylcarbonate
    • NS00012037
    • 267-184-4

  • Applications

    Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester (CAS 67801-64-3) is a carbonate ester used in industry primarily as an intermediate for organic synthesis and as a solvent or co-solvent in coatings, inks, and adhesive formulations. It can also function as a reactive diluent or plasticizer in polymer formulations to adjust viscosity and material properties, and may serve as a processing aid in various manufacturing contexts. Use is typically governed by formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2608.61
    methanol 2560.6
    isopropanol 2689.25
    water 1.12
    ethyl acetate 2718.99
    n-propanol 2271.43
    acetone 2929.37
    n-butanol 1916.74
    acetonitrile 1660.78
    DMF 3928.35
    toluene 1343.64
    isobutanol 1979.95
    1,4-dioxane 3390.02
    methyl acetate 1954.55
    THF 6333.91
    2-butanone 2363.2
    n-pentanol 1083.42
    sec-butanol 2225.28
    n-hexane 255.35
    ethylene glycol 323.44
    NMP 3706.29
    cyclohexane 606.48
    DMSO 2332.37
    n-butyl acetate 2024.84
    n-octanol 700.61
    chloroform 5699.12
    n-propyl acetate 1262.19
    acetic acid 2267.21
    dichloromethane 4460.96
    cyclohexanone 4239.14
    propylene glycol 692.9
    isopropyl acetate 2129.7
    DMAc 2615.4
    2-ethoxyethanol 1130.24
    isopentanol 1900.72
    n-heptane 113.92
    ethyl formate 1285.13
    1,2-dichloroethane 3356.74
    n-hexanol 1714.18
    2-methoxyethanol 2314.82
    isobutyl acetate 958.0
    tetrachloromethane 758.24
    n-pentyl acetate 1149.46
    transcutol 3658.5
    n-heptanol 658.94
    ethylbenzene 605.86
    MIBK 1635.73
    2-propoxyethanol 2107.35
    tert-butanol 3246.14
    MTBE 2935.16
    2-butoxyethanol 1072.7
    propionic acid 1807.24
    o-xylene 788.26
    formic acid 602.66
    diethyl ether 2189.9
    m-xylene 1032.03
    p-xylene 806.15
    chlorobenzene 1917.32
    dimethyl carbonate 821.87
    n-octane 65.46
    formamide 836.41
    cyclopentanone 4357.8
    2-pentanone 2226.19
    anisole 1045.68
    cyclopentyl methyl ether 2860.76
    gamma-butyrolactone 4705.57
    1-methoxy-2-propanol 2166.89
    pyridine 2568.88
    3-pentanone 1557.37
    furfural 2549.0
    n-dodecane 55.39
    diethylene glycol 1104.22
    diisopropyl ether 898.85
    tert-amyl alcohol 2439.23
    acetylacetone 2318.84
    n-hexadecane 67.55
    acetophenone 987.79
    methyl propionate 1886.39
    isopentyl acetate 1948.01
    trichloroethylene 5724.18
    n-nonanol 599.53
    cyclohexanol 2367.28
    benzyl alcohol 816.79
    2-ethylhexanol 842.34
    isooctanol 547.88
    dipropyl ether 844.0
    1,2-dichlorobenzene 1597.97
    ethyl lactate 496.23
    propylene carbonate 2560.07
    n-methylformamide 1585.39
    2-pentanol 1735.6
    n-pentane 266.54
    1-propoxy-2-propanol 1565.65
    1-methoxy-2-propyl acetate 1793.62
    2-(2-methoxypropoxy) propanol 941.11
    mesitylene 667.22
    ε-caprolactone 3328.07
    p-cymene 388.71
    epichlorohydrin 4735.04
    1,1,1-trichloroethane 3620.67
    2-aminoethanol 850.18
    morpholine-4-carbaldehyde 2903.44
    sulfolane 4062.16
    2,2,4-trimethylpentane 166.31
    2-methyltetrahydrofuran 4591.47
    n-hexyl acetate 1750.17
    isooctane 146.45
    2-(2-butoxyethoxy)ethanol 1381.75
    sec-butyl acetate 1049.25
    tert-butyl acetate 2100.2
    decalin 217.21
    glycerin 688.98
    diglyme 2110.44
    acrylic acid 1263.29
    isopropyl myristate 543.51
    n-butyric acid 2775.21
    acetyl acetate 1707.67
    di(2-ethylhexyl) phthalate 490.54
    ethyl propionate 1089.61
    nitromethane 2952.88
    1,2-diethoxyethane 1429.98
    benzonitrile 1240.87
    trioctyl phosphate 384.63
    1-bromopropane 2125.68
    gamma-valerolactone 4465.23
    n-decanol 425.42
    triethyl phosphate 402.5
    4-methyl-2-pentanol 983.5
    propionitrile 1543.26
    vinylene carbonate 1923.23
    1,1,2-trichlorotrifluoroethane 2341.42
    DMS 1138.87
    cumene 425.77
    2-octanol 538.88
    2-hexanone 1169.64
    octyl acetate 719.0
    limonene 647.95
    1,2-dimethoxyethane 2027.56
    ethyl orthosilicate 409.66
    tributyl phosphate 499.88
    diacetone alcohol 1858.17
    N,N-dimethylaniline 702.49
    acrylonitrile 1555.35
    aniline 1393.9
    1,3-propanediol 1367.68
    bromobenzene 2079.02
    dibromomethane 3178.73
    1,1,2,2-tetrachloroethane 5047.19
    2-methyl-cyclohexyl acetate 856.95
    tetrabutyl urea 582.05
    diisobutyl methanol 487.12
    2-phenylethanol 1062.18
    styrene 736.74
    dioctyl adipate 703.97
    dimethyl sulfate 1140.6
    ethyl butyrate 997.55
    methyl lactate 806.91
    butyl lactate 879.22
    diethyl carbonate 618.34
    propanediol butyl ether 1058.51
    triethyl orthoformate 673.79
    p-tert-butyltoluene 403.11
    methyl 4-tert-butylbenzoate 982.05
    morpholine 4136.38
    tert-butylamine 2081.48
    n-dodecanol 307.86
    dimethoxymethane 2127.37
    ethylene carbonate 1883.62
    cyrene 805.12
    2-ethoxyethyl acetate 1355.88
    2-ethylhexyl acetate 1411.47
    1,2,4-trichlorobenzene 1791.78
    4-methylpyridine 2938.8
    dibutyl ether 827.39
    2,6-dimethyl-4-heptanol 487.12
    DEF 2392.51
    dimethyl isosorbide 1682.61
    tetrachloroethylene 2820.01
    eugenol 840.25
    triacetin 1088.73
    span 80 979.46
    1,4-butanediol 456.65
    1,1-dichloroethane 3850.49
    2-methyl-1-pentanol 1081.55
    methyl formate 1205.69
    2-methyl-1-butanol 1710.78
    n-decane 97.83
    butyronitrile 2036.54
    3,7-dimethyl-1-octanol 712.4
    1-chlorooctane 519.42
    1-chlorotetradecane 200.52
    n-nonane 93.98
    undecane 71.57
    tert-butylcyclohexane 196.48
    cyclooctane 174.31
    cyclopentanol 2466.64
    tetrahydropyran 4493.09
    tert-amyl methyl ether 1779.04
    2,5,8-trioxanonane 1311.73
    1-hexene 822.59
    2-isopropoxyethanol 951.93
    2,2,2-trifluoroethanol 761.15
    methyl butyrate 1486.08

    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