Dimethyl carbonate

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  • Identifiers

    CAS number
    616-38-6

    Molecular formula
    C3H6O3

    SMILES
    COC(=O)OC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Ethereal 80.37%
    Fresh 42.53%
    Winey 40.04%
    Rummy 38.73%
    Odorless 35.64%
    Alcoholic 34.68%
    Fruity 32.77%
    Sharp 30.08%
    Apple 28.08%
    Solvent 26.71%

     

    Flavor
    Fruity 91.01%
    Sweet 65.48%
    Apple 52.71%
    Green 47.36%
    Pineapple 44.66%
    Bitter 44.06%
    Floral 41.88%
    Banana 34.52%
    Ether 32.82%
    Fruit 32.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.09 (weak acid)

    Molecular weight
    90.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 0.5 °C
    • 3 °C

    Boiling point

    • 90.5 °C
    • 90.00 to 91.00 °C. @ 760.00 mm Hg
    • 90 °C

    Flash point

    • 5.41 ˚C est.
    • 31 °F (NFPA, 2010)
    • 14 °C (Closed cup)
    • 18 °C (Open cup)
    • 18 °C o.c.

    Solubility expt.

    • Miscible with alcohol and ether
    • Miscible with acids and alkalies; stable in the presence of water; soluble in most organic solvents
    • Soluble in oxygenated solvents
    • Solubility in water: none

  • Synonyms

    • Dimethyl carbonate
    • 616-38-6
    • Methyl carbonate
    • Carbonic acid, dimethyl ester
    • Methyl carbonate ((MeO)2CO)
    • Carbonic Acid Dimethyl Ester
    • DIMETHYLCARBONATE
    • HSDB 6928
    • UNII-KE9J097SPN
    • NSC 9371
    • EINECS 210-478-4
    • KE9J097SPN
    • DTXSID9029192
    • CHEBI:36596
    • AI3-14705
    • CH3OCOOCH3
    • Dimethylcarbonate, 99%
    • NSC-9371
    • D.M.C.
    • DTXCID609192
    • Dimethyl ester of carbonic acid
    • EC 210-478-4
    • CAS-616-38-6
    • UN1161
    • methoxyketone
    • dimethy carbonate
    • dim ethyl carbonate
    • MFCD00008420
    • Dimethyl carbonate-13C3
    • WLN: 1OVO1
    • Dimethyl carbonate [UN1161] [Flammable liquid]
    • DIMETHYL CARBONATE [MI]
    • CHEMBL3185216
    • Solifenacin Related Compound 17
    • DIMETHYL CARBONATE [HSDB]
    • NSC9371
    • Carbonic acid dimethyl ester, 9CI
    • Tox21_201940
    • Tox21_303590
    • AKOS000121888
    • Dimethyl carbonate, analytical standard
    • Dimethyl carbonate, anhydrous, >=99%
    • FD34690
    • UN 1161
    • NCGC00249139-01
    • NCGC00257358-01
    • NCGC00259489-01
    • E242
    • Carbonic acid,di(methyl-d3) ester (6CI)
    • Dimethyl carbonate, ReagentPlus(R), 99%
    • NS00041797
    • A833342
    • Dimethyl carbonate [UN1161] [Flammable liquid]
    • Q416254
    • InChI=1/C3H6O3/c1-5-3(4)6-2/h1-2H
    • F1905-7139
    • Dimethyl carbonate, >=99.9%, acid <10 ppm, H2O <10 ppm
    • 210-478-4

  • Applications

    Dimethyl carbonate (CAS 616-38-6) is a green solvent widely used as a solvent and reaction medium in coatings, inks, adhesives, and cleaning formulations, providing a less toxic alternative to many chlorinated solvents. It is a key intermediate for the production of diphenyl carbonate (DPC) via transesterification with phenol and, in turn, a phosgene-free feedstock for polycarbonate production. In addition, it is used as a solvent and processing aid in polymerization and plastics formulations. It is also employed as a solvent for electrochemical systems, particularly in carbonate-based electrolyte formulations for lithium-ion batteries and other electrochemical devices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 979.01
    methanol 1437.32
    isopropanol 826.78
    water 179.64
    ethyl acetate 527.34
    n-propanol 707.81
    acetone 1051.34
    n-butanol 625.79
    acetonitrile 1168.43
    DMF 1545.94
    toluene 221.48
    isobutanol 572.25
    1,4-dioxane 790.69
    methyl acetate 662.04
    THF 956.91
    2-butanone 671.17
    n-pentanol 404.71
    sec-butanol 690.83
    n-hexane 118.94
    ethylene glycol 360.92
    NMP 998.48
    cyclohexane 147.86
    DMSO 1658.87
    n-butyl acetate 184.23
    n-octanol 148.89
    chloroform 1345.75
    n-propyl acetate 286.26
    acetic acid 1459.27
    dichloromethane 1436.58
    cyclohexanone 512.92
    propylene glycol 301.22
    isopropyl acetate 305.36
    DMAc 1137.94
    2-ethoxyethanol 783.1
    isopentanol 506.88
    n-heptane 66.7
    ethyl formate 508.24
    1,2-dichloroethane 823.72
    n-hexanol 198.93
    2-methoxyethanol 1264.94
    isobutyl acetate 131.37
    tetrachloromethane 454.81
    n-pentyl acetate 174.98
    transcutol 529.1
    n-heptanol 139.35
    ethylbenzene 138.15
    MIBK 279.21
    2-propoxyethanol 366.21
    tert-butanol 1162.6
    MTBE 736.76
    2-butoxyethanol 255.12
    propionic acid 630.11
    o-xylene 197.84
    formic acid 1296.32
    diethyl ether 709.61
    m-xylene 158.74
    p-xylene 204.29
    chlorobenzene 274.86
    dimethyl carbonate 251.14
    n-octane 32.61
    formamide 1834.37
    cyclopentanone 668.31
    2-pentanone 495.72
    anisole 302.15
    cyclopentyl methyl ether 489.03
    gamma-butyrolactone 782.35
    1-methoxy-2-propanol 790.93
    pyridine 635.37
    3-pentanone 413.16
    furfural 771.45
    n-dodecane 20.07
    diethylene glycol 327.54
    diisopropyl ether 211.01
    tert-amyl alcohol 889.28
    acetylacetone 474.43
    n-hexadecane 21.62
    acetophenone 284.5
    methyl propionate 456.88
    isopentyl acetate 166.02
    trichloroethylene 1296.12
    n-nonanol 129.84
    cyclohexanol 476.26
    benzyl alcohol 291.28
    2-ethylhexanol 127.61
    isooctanol 123.11
    dipropyl ether 201.89
    1,2-dichlorobenzene 269.92
    ethyl lactate 143.62
    propylene carbonate 360.59
    n-methylformamide 1172.6
    2-pentanol 449.91
    n-pentane 148.88
    1-propoxy-2-propanol 230.22
    1-methoxy-2-propyl acetate 182.21
    2-(2-methoxypropoxy) propanol 165.29
    mesitylene 115.01
    ε-caprolactone 438.63
    p-cymene 87.81
    epichlorohydrin 920.55
    1,1,1-trichloroethane 816.02
    2-aminoethanol 587.34
    morpholine-4-carbaldehyde 785.41
    sulfolane 818.3
    2,2,4-trimethylpentane 88.03
    2-methyltetrahydrofuran 788.56
    n-hexyl acetate 195.2
    isooctane 48.75
    2-(2-butoxyethoxy)ethanol 219.87
    sec-butyl acetate 186.57
    tert-butyl acetate 341.64
    decalin 60.4
    glycerin 424.32
    diglyme 519.25
    acrylic acid 620.58
    isopropyl myristate 80.35
    n-butyric acid 663.16
    acetyl acetate 321.07
    di(2-ethylhexyl) phthalate 78.1
    ethyl propionate 271.63
    nitromethane 1926.91
    1,2-diethoxyethane 260.82
    benzonitrile 314.78
    trioctyl phosphate 60.13
    1-bromopropane 507.21
    gamma-valerolactone 780.92
    n-decanol 91.14
    triethyl phosphate 105.1
    4-methyl-2-pentanol 232.82
    propionitrile 643.23
    vinylene carbonate 368.19
    1,1,2-trichlorotrifluoroethane 749.66
    DMS 150.37
    cumene 109.52
    2-octanol 126.47
    2-hexanone 287.9
    octyl acetate 101.7
    limonene 125.24
    1,2-dimethoxyethane 938.29
    ethyl orthosilicate 108.71
    tributyl phosphate 70.61
    diacetone alcohol 407.07
    N,N-dimethylaniline 262.61
    acrylonitrile 747.38
    aniline 361.23
    1,3-propanediol 743.45
    bromobenzene 269.84
    dibromomethane 957.88
    1,1,2,2-tetrachloroethane 1015.8
    2-methyl-cyclohexyl acetate 129.85
    tetrabutyl urea 100.13
    diisobutyl methanol 106.03
    2-phenylethanol 167.97
    styrene 166.87
    dioctyl adipate 102.76
    dimethyl sulfate 378.21
    ethyl butyrate 179.78
    methyl lactate 226.54
    butyl lactate 121.9
    diethyl carbonate 127.54
    propanediol butyl ether 181.68
    triethyl orthoformate 131.46
    p-tert-butyltoluene 93.71
    methyl 4-tert-butylbenzoate 212.93
    morpholine 972.05
    tert-butylamine 772.0
    n-dodecanol 68.65
    dimethoxymethane 855.67
    ethylene carbonate 298.59
    cyrene 225.71
    2-ethoxyethyl acetate 199.06
    2-ethylhexyl acetate 132.43
    1,2,4-trichlorobenzene 306.04
    4-methylpyridine 570.19
    dibutyl ether 154.67
    2,6-dimethyl-4-heptanol 106.03
    DEF 682.74
    dimethyl isosorbide 268.85
    tetrachloroethylene 855.73
    eugenol 183.34
    triacetin 170.95
    span 80 138.76
    1,4-butanediol 320.83
    1,1-dichloroethane 878.24
    2-methyl-1-pentanol 346.43
    methyl formate 811.41
    2-methyl-1-butanol 519.51
    n-decane 36.58
    butyronitrile 620.08
    3,7-dimethyl-1-octanol 136.83
    1-chlorooctane 99.48
    1-chlorotetradecane 40.59
    n-nonane 38.53
    undecane 25.32
    tert-butylcyclohexane 61.35
    cyclooctane 55.84
    cyclopentanol 560.08
    tetrahydropyran 633.1
    tert-amyl methyl ether 555.09
    2,5,8-trioxanonane 299.23
    1-hexene 228.93
    2-isopropoxyethanol 439.78
    2,2,2-trifluoroethanol 694.79
    methyl butyrate 362.22

    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