Diethyl Carbonate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    105-58-8

    Molecular formula
    C5H10O3

    SMILES
    CCOC(=O)OCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Ethereal 70.39%
    Fresh 53.93%
    Apple 42.85%
    Winey 40.85%
    Fruity 40.52%
    Green 36.59%
    Rummy 33.57%
    Alcoholic 31.65%
    Sweet 27.73%
    Odorless 27.59%

     

    Flavor
    Fruity 90.27%
    Sweet 63.07%
    Fruit 58.12%
    Green 56.7%
    Pineapple 55.52%
    Apple 55.19%
    Bitter 47.68%
    Banana 43.87%
    Pear 41.91%
    Rum 39.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.86 (neutral)

    Molecular weight
    118.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -45 °F (NTP, 1992)
    • -43 °C

    Boiling point

    • 259 °F at 760 mmHg (NTP, 1992)
    • 126 °C

    Flash point

    • 25.32 ˚C est.
    • 77 °F (NTP, 1992)
    • 25 °C (CLOSED CUP)
    • 25 °C c.c.

    Solubility expt.

    • Insoluble (NTP, 1992)
    • Soluble in ehtyl ether, ethanol, and chloroform
    • Miscible with ketones, esters, aromatic hydrocarbons, some aliphatic solvents
    • In water, 1.88X10+4 mg/l @ 20 °C
    • Solubility in water: none

  • Synonyms

    • DIETHYL CARBONATE
    • 105-58-8
    • Ethyl carbonate
    • Carbonic acid diethyl ester
    • Carbonic acid, diethyl ester
    • Eufin
    • Diatol
    • Diaethylcarbonat
    • Carbonic ether
    • Ethoxyformic anhydride
    • Diethylkarbonat
    • Ethyl carbonate ((EtO)2CO)
    • diethylcarbonate
    • Diethylkarbonat [Czech]
    • Diaethylcarbonat [German]
    • NCI-C60899
    • NSC 8849
    • Diethylester kyseliny uhlicite
    • CCRIS 6229
    • HSDB 925
    • EINECS 203-311-1
    • UN2366
    • Diethylester kyseliny uhlicite [Czech]
    • UNII-3UA92692HG
    • Diethyl-d10Carbonate
    • DTXSID3025041
    • AI3-00365
    • Diethylcarbonate, 99%
    • NSC-8849
    • Diethyl carbonate-13C5
    • C2H5OC(O)OC2H5
    • ETHYL CARBONATE [MI]
    • Diethyl ester of carbonic acid
    • DTXCID105041
    • DIETHYL CARBONATE [HSDB]
    • EC 203-311-1
    • 3UA92692HG
    • UN 2366
    • 440671-47-6
    • DIAETHYLCARBONAT (GERMAN)
    • diethylcarbonat
    • Diethyl carbonic acid
    • Diethyl carbonate ester
    • carbonic acid diethylester
    • Diethyl carbonate, 99%
    • SCHEMBL3673
    • WLN: 2OVO2
    • CHEMBL1533495
    • DIETHYL CARBONATE [INCI]
    • NSC8849
    • CHEBI:173463
    • Tox21_200769
    • MFCD00009107
    • Diethyl carbonate, analytical standard
    • AKOS000120910
    • Diethyl carbonate, anhydrous, >=99%
    • FD60373
    • NCGC00091669-01
    • NCGC00091669-02
    • NCGC00258323-01
    • BP-21019
    • CAS-105-58-8
    • LS-13080
    • DB-029661
    • Diethyl carbonate, purum, >=98.0% (GC)
    • NS00041201
    • Diethyl carbonate LBG-23605, LBG-23601
    • EN300-20788
    • D97668
    • Diethyl carbonate [UN2366] [Flammable liquid]
    • Q420616
    • F0001-0109
    • Z104482516
    • Diethyl carbonate, >=99%, acid <10 ppm, H2O <10 ppm

  • Applications

    Diethyl Carbonate (CAS 105-58-8) is used as a polar aprotic solvent in coatings, inks, and adhesives, aiding dissolution and formulation of polymer systems; it is an important intermediate in the production of polycarbonates and other polymers via phosgene-free routes; it serves as a reagent for the preparation of cyclic carbonates and carbonate-based polyols; it acts as a solvent/co-solvent in lithium-ion battery electrolytes; and it is employed as a cleaning solvent in electronics manufacturing and other industrial cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 844.14
    methanol 1219.91
    isopropanol 776.55
    water 9.61
    ethyl acetate 1336.71
    n-propanol 757.23
    acetone 1986.38
    n-butanol 616.33
    acetonitrile 1906.69
    DMF 3487.26
    toluene 656.25
    isobutanol 553.87
    1,4-dioxane 1720.19
    methyl acetate 1495.25
    THF 1861.61
    2-butanone 1419.4
    n-pentanol 525.65
    sec-butanol 753.9
    n-hexane 267.95
    ethylene glycol 281.21
    NMP 3204.28
    cyclohexane 470.16
    DMSO 2721.13
    n-butyl acetate 836.33
    n-octanol 534.37
    chloroform 4712.62
    n-propyl acetate 875.44
    acetic acid 2501.31
    dichloromethane 5036.37
    cyclohexanone 2088.8
    propylene glycol 351.88
    isopropyl acetate 744.47
    DMAc 2436.28
    2-ethoxyethanol 772.87
    isopentanol 445.19
    n-heptane 144.53
    ethyl formate 1140.72
    1,2-dichloroethane 2642.96
    n-hexanol 406.54
    2-methoxyethanol 1264.96
    isobutyl acetate 456.77
    tetrachloromethane 674.83
    n-pentyl acetate 730.28
    transcutol 1306.71
    n-heptanol 303.77
    ethylbenzene 496.64
    MIBK 537.3
    2-propoxyethanol 657.12
    tert-butanol 880.76
    MTBE 675.32
    2-butoxyethanol 486.27
    propionic acid 1378.94
    o-xylene 498.41
    formic acid 747.91
    diethyl ether 816.74
    m-xylene 407.47
    p-xylene 763.74
    chlorobenzene 1565.59
    dimethyl carbonate 683.39
    n-octane 111.82
    formamide 1067.05
    cyclopentanone 2299.25
    2-pentanone 1044.88
    anisole 822.77
    cyclopentyl methyl ether 884.66
    gamma-butyrolactone 3077.87
    1-methoxy-2-propanol 925.49
    pyridine 2334.65
    3-pentanone 973.22
    furfural 2995.45
    n-dodecane 100.8
    diethylene glycol 454.02
    diisopropyl ether 280.77
    tert-amyl alcohol 726.37
    acetylacetone 1329.16
    n-hexadecane 115.78
    acetophenone 978.4
    methyl propionate 1189.69
    isopentyl acetate 606.89
    trichloroethylene 5214.47
    n-nonanol 437.16
    cyclohexanol 825.78
    benzyl alcohol 718.66
    2-ethylhexanol 323.51
    isooctanol 241.31
    dipropyl ether 430.88
    1,2-dichlorobenzene 1528.2
    ethyl lactate 449.7
    propylene carbonate 1702.6
    n-methylformamide 1766.23
    2-pentanol 479.71
    n-pentane 197.76
    1-propoxy-2-propanol 527.11
    1-methoxy-2-propyl acetate 615.43
    2-(2-methoxypropoxy) propanol 502.46
    mesitylene 314.38
    ε-caprolactone 1775.14
    p-cymene 270.32
    epichlorohydrin 2518.33
    1,1,1-trichloroethane 2311.22
    2-aminoethanol 443.57
    morpholine-4-carbaldehyde 2235.05
    sulfolane 3603.74
    2,2,4-trimethylpentane 107.26
    2-methyltetrahydrofuran 1417.7
    n-hexyl acetate 1205.68
    isooctane 65.17
    2-(2-butoxyethoxy)ethanol 635.12
    sec-butyl acetate 525.81
    tert-butyl acetate 669.93
    decalin 209.04
    glycerin 469.12
    diglyme 1250.78
    acrylic acid 1575.51
    isopropyl myristate 408.63
    n-butyric acid 1382.16
    acetyl acetate 998.03
    di(2-ethylhexyl) phthalate 365.83
    ethyl propionate 899.65
    nitromethane 3754.08
    1,2-diethoxyethane 682.73
    benzonitrile 1400.94
    trioctyl phosphate 292.33
    1-bromopropane 1363.87
    gamma-valerolactone 2612.82
    n-decanol 305.87
    triethyl phosphate 382.3
    4-methyl-2-pentanol 235.91
    propionitrile 1297.33
    vinylene carbonate 2010.13
    1,1,2-trichlorotrifluoroethane 1971.61
    DMS 921.75
    cumene 333.06
    2-octanol 342.26
    2-hexanone 816.92
    octyl acetate 572.96
    limonene 382.8
    1,2-dimethoxyethane 1528.15
    ethyl orthosilicate 334.47
    tributyl phosphate 379.9
    diacetone alcohol 652.53
    N,N-dimethylaniline 634.72
    acrylonitrile 1979.31
    aniline 824.69
    1,3-propanediol 601.3
    bromobenzene 1717.96
    dibromomethane 3116.27
    1,1,2,2-tetrachloroethane 3865.54
    2-methyl-cyclohexyl acetate 493.64
    tetrabutyl urea 514.89
    diisobutyl methanol 194.93
    2-phenylethanol 504.29
    styrene 691.92
    dioctyl adipate 570.43
    dimethyl sulfate 1186.06
    ethyl butyrate 679.64
    methyl lactate 648.68
    butyl lactate 519.19
    diethyl carbonate 539.03
    propanediol butyl ether 550.73
    triethyl orthoformate 441.54
    p-tert-butyltoluene 258.67
    methyl 4-tert-butylbenzoate 744.11
    morpholine 1747.91
    tert-butylamine 562.32
    n-dodecanol 240.06
    dimethoxymethane 1257.74
    ethylene carbonate 1532.61
    cyrene 543.07
    2-ethoxyethyl acetate 770.2
    2-ethylhexyl acetate 517.38
    1,2,4-trichlorobenzene 1740.5
    4-methylpyridine 2112.63
    dibutyl ether 641.41
    2,6-dimethyl-4-heptanol 194.93
    DEF 1499.33
    dimethyl isosorbide 791.13
    tetrachloroethylene 2402.48
    eugenol 675.15
    triacetin 939.56
    span 80 577.17
    1,4-butanediol 305.52
    1,1-dichloroethane 2504.03
    2-methyl-1-pentanol 425.0
    methyl formate 1497.12
    2-methyl-1-butanol 483.27
    n-decane 163.0
    butyronitrile 1210.35
    3,7-dimethyl-1-octanol 380.09
    1-chlorooctane 497.42
    1-chlorotetradecane 216.26
    n-nonane 170.14
    undecane 122.28
    tert-butylcyclohexane 165.71
    cyclooctane 149.28
    cyclopentanol 1023.9
    tetrahydropyran 1480.99
    tert-amyl methyl ether 577.97
    2,5,8-trioxanonane 858.42
    1-hexene 661.62
    2-isopropoxyethanol 483.66
    2,2,2-trifluoroethanol 798.37
    methyl butyrate 1197.68

    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

Botanical

Name CAS Botanical Proportion
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%