Carbonic acid, ethyl hexyl ester

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  • Identifiers

    CAS number
    87494-31-3

    Molecular formula
    C9H18O3

    SMILES
    CCCCCCOC(=O)OCC

  • Odor profile

    Fragrance
    Green 76.96%
    Fruity 66.52%
    Floral 61.42%
    Apple 55.55%
    Fresh 51.58%
    Herbal 47.51%
    Waxy 47.22%
    Winey 39.96%
    Sweet 37.93%
    Rose 34.24%

     

    Flavor
    Fruity 86.34%
    Green 71.56%
    Sweet 63.56%
    Apple 62.55%
    Fruit 57.62%
    Pineapple 54.05%
    Pear 52.88%
    Waxy 51.11%
    Banana 47.06%
    Tropical 45.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.89 (neutral)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    216°C

    Flash point

    • 75.32 ˚C est.

  • Synonyms

    • Carbonic acid, ethyl hexyl ester
    • ethyl hexyl carbonate
    • 87494-31-3
    • Hexylathylkarbonat
    • SCHEMBL448327
    • carbonic acid ethyl hexyl ester
    • DTXSID20423616
    • CJKUBFJTBHACJH-UHFFFAOYSA-N

  • Applications

    Carbonic acid, ethyl hexyl ester, CAS 87494-31-3, is a carbonate ester solvent with moderate volatility and suitable solvency for coatings and related formulations; it is commonly used as a solvent and reaction medium in coatings, inks, and adhesives formulations; it can act as a processing aid and plasticizer in certain polymer systems to improve processability and flexibility; it serves as an intermediate in the synthesis of carbonate-containing polymers or specialty chemicals; in cleaning formulations it may be used as a solvent; it may be explored as a solvent for electronics or specialized electrolyte formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11904.12
    methanol 14598.76
    isopropanol 9295.87
    water 0.67
    ethyl acetate 8210.57
    n-propanol 8471.04
    acetone 18127.65
    n-butanol 7107.3
    acetonitrile 9799.19
    DMF 17695.29
    toluene 2851.36
    isobutanol 6021.64
    1,4-dioxane 8253.05
    methyl acetate 6160.06
    THF 12008.63
    2-butanone 9467.34
    n-pentanol 4646.77
    sec-butanol 7706.35
    n-hexane 1196.32
    ethylene glycol 1153.08
    NMP 10330.57
    cyclohexane 1430.45
    DMSO 19048.05
    n-butyl acetate 5221.42
    n-octanol 1532.46
    chloroform 11774.91
    n-propyl acetate 4784.19
    acetic acid 10676.09
    dichloromethane 12661.06
    cyclohexanone 12170.49
    propylene glycol 1904.95
    isopropyl acetate 4765.9
    DMAc 7797.54
    2-ethoxyethanol 4449.19
    isopentanol 5685.31
    n-heptane 274.15
    ethyl formate 4470.81
    1,2-dichloroethane 10447.93
    n-hexanol 3368.06
    2-methoxyethanol 8412.27
    isobutyl acetate 2414.11
    tetrachloromethane 1381.86
    n-pentyl acetate 2970.77
    transcutol 11091.33
    n-heptanol 1298.31
    ethylbenzene 1386.72
    MIBK 3831.65
    2-propoxyethanol 4632.52
    tert-butanol 9179.24
    MTBE 7721.91
    2-butoxyethanol 2334.42
    propionic acid 6132.37
    o-xylene 1456.51
    formic acid 2354.44
    diethyl ether 8133.58
    m-xylene 1735.07
    p-xylene 1858.41
    chlorobenzene 4019.56
    dimethyl carbonate 1679.51
    n-octane 148.07
    formamide 4237.75
    cyclopentanone 11549.62
    2-pentanone 8554.39
    anisole 2519.66
    cyclopentyl methyl ether 6356.88
    gamma-butyrolactone 11439.33
    1-methoxy-2-propanol 6456.07
    pyridine 8845.62
    3-pentanone 5099.53
    furfural 6849.93
    n-dodecane 108.72
    diethylene glycol 2549.75
    diisopropyl ether 1867.98
    tert-amyl alcohol 7230.81
    acetylacetone 7296.38
    n-hexadecane 128.57
    acetophenone 2502.66
    methyl propionate 5448.39
    isopentyl acetate 4057.91
    trichloroethylene 15915.39
    n-nonanol 1238.9
    cyclohexanol 6263.29
    benzyl alcohol 2196.12
    2-ethylhexanol 1759.25
    isooctanol 1079.34
    dipropyl ether 2136.1
    1,2-dichlorobenzene 3008.09
    ethyl lactate 1318.22
    propylene carbonate 4921.98
    n-methylformamide 8034.14
    2-pentanol 5401.25
    n-pentane 857.6
    1-propoxy-2-propanol 3395.96
    1-methoxy-2-propyl acetate 3305.36
    2-(2-methoxypropoxy) propanol 1768.16
    mesitylene 1023.78
    ε-caprolactone 8055.69
    p-cymene 626.16
    epichlorohydrin 11611.44
    1,1,1-trichloroethane 7567.65
    2-aminoethanol 3095.99
    morpholine-4-carbaldehyde 7020.85
    sulfolane 12758.34
    2,2,4-trimethylpentane 312.77
    2-methyltetrahydrofuran 9657.31
    n-hexyl acetate 3905.14
    isooctane 257.17
    2-(2-butoxyethoxy)ethanol 3023.53
    sec-butyl acetate 2861.61
    tert-butyl acetate 4471.3
    decalin 503.46
    glycerin 1891.24
    diglyme 4957.98
    acrylic acid 4802.58
    isopropyl myristate 1051.87
    n-butyric acid 9182.32
    acetyl acetate 3931.16
    di(2-ethylhexyl) phthalate 877.12
    ethyl propionate 3649.31
    nitromethane 15480.28
    1,2-diethoxyethane 4447.34
    benzonitrile 3585.48
    trioctyl phosphate 683.29
    1-bromopropane 7016.77
    gamma-valerolactone 11118.99
    n-decanol 806.51
    triethyl phosphate 829.2
    4-methyl-2-pentanol 2044.56
    propionitrile 6612.47
    vinylene carbonate 4353.38
    1,1,2-trichlorotrifluoroethane 6368.53
    DMS 2082.42
    cumene 801.76
    2-octanol 1146.06
    2-hexanone 4987.55
    octyl acetate 1437.45
    limonene 1167.65
    1,2-dimethoxyethane 7752.32
    ethyl orthosilicate 822.58
    tributyl phosphate 1008.48
    diacetone alcohol 4300.56
    N,N-dimethylaniline 1648.89
    acrylonitrile 7888.62
    aniline 3518.68
    1,3-propanediol 4428.84
    bromobenzene 4684.91
    dibromomethane 9400.31
    1,1,2,2-tetrachloroethane 12757.89
    2-methyl-cyclohexyl acetate 1619.69
    tetrabutyl urea 1295.96
    diisobutyl methanol 915.15
    2-phenylethanol 1899.77
    styrene 2097.8
    dioctyl adipate 1452.39
    dimethyl sulfate 2668.25
    ethyl butyrate 2649.52
    methyl lactate 1933.52
    butyl lactate 1975.22
    diethyl carbonate 1441.48
    propanediol butyl ether 2590.12
    triethyl orthoformate 1390.73
    p-tert-butyltoluene 624.15
    methyl 4-tert-butylbenzoate 1656.0
    morpholine 12451.57
    tert-butylamine 5622.02
    n-dodecanol 576.84
    dimethoxymethane 6118.7
    ethylene carbonate 3794.45
    cyrene 1519.44
    2-ethoxyethyl acetate 3026.47
    2-ethylhexyl acetate 2881.13
    1,2,4-trichlorobenzene 3260.58
    4-methylpyridine 8554.49
    dibutyl ether 2385.34
    2,6-dimethyl-4-heptanol 915.15
    DEF 8960.93
    dimethyl isosorbide 2854.18
    tetrachloroethylene 7387.19
    eugenol 1668.26
    triacetin 2244.14
    span 80 2003.63
    1,4-butanediol 1624.81
    1,1-dichloroethane 10507.16
    2-methyl-1-pentanol 3665.85
    methyl formate 4758.04
    2-methyl-1-butanol 5286.0
    n-decane 201.99
    butyronitrile 8024.75
    3,7-dimethyl-1-octanol 1459.53
    1-chlorooctane 1050.69
    1-chlorotetradecane 338.59
    n-nonane 216.01
    undecane 140.11
    tert-butylcyclohexane 437.43
    cyclooctane 318.76
    cyclopentanol 6433.32
    tetrahydropyran 11750.42
    tert-amyl methyl ether 4558.23
    2,5,8-trioxanonane 2994.26
    1-hexene 4078.54
    2-isopropoxyethanol 2871.35
    2,2,2-trifluoroethanol 2077.78
    methyl butyrate 5881.38

    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