Dimethyl dicarbonate

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  • Identifiers

    CAS number
    4525-33-1

    Molecular formula
    C4H6O5

    SMILES
    COC(=O)OC(=O)OC

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 63.63%
    Ethereal 44.03%
    Winey 27.07%
    Fresh 24.39%
    Green 21.76%
    Alcoholic 18.82%
    Sharp 18.51%
    Apple 18.28%
    Sour 18.25%
    Pungent 17.28%

     

    Flavor
    Fruity 80.91%
    Green 39.71%
    Sweet 35.55%
    Apple 34.82%
    Floral 32.11%
    Bitter 26.87%
    Tropical 25.78%
    Sharp 24.16%
    Mild 22.76%
    Strawberry 22.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.34 (weak acid)

    Molecular weight
    134.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 15 - 17 °C

    Boiling point

    • BP: 44-47 °C at 5 mm Hg
    • 45.00 to 46.00 °C. @ 5.00 mm Hg

    Flash point

    • 61.78 ˚C est.

    Solubility expt.

    • Soluble in water with decomposition; miscible with toluene
    • dec.

  • Synonyms

    • dimethyl dicarbonate
    • 4525-33-1
    • Velcorin
    • Dimethyl pyrocarbonate
    • Dicarbonic acid, dimethyl ester
    • methoxycarbonyl methyl carbonate
    • Methyl pyrocarbonate
    • Dimethyl oxydiformate
    • Formic acid, oxydi-, dimethyl ester
    • Pyrocarbonic acid dimethyl ester
    • EINECS 224-859-8
    • UNII-1AY9229ZMG
    • HSDB 8117
    • MFCD00008419
    • Dicarbonic acid, C,C'-dimethyl ester
    • 1AY9229ZMG
    • INS NO.242
    • DTXSID2052108
    • INS-242
    • DIMETHYL DICARBONATE [FCC]
    • Formic acid, oxydi-, dimethyl ester (7CI,8CI)
    • E-242
    • Dimethyldicarbonate
    • Baycovin; DEPA;Dekapex; Diethyl dicarbonate;Ue 5908
    • Dimethyl pyrocarbonate; Methyl pyrocarbonate; Pyrocarbonic acid dimethyl ester; Velcorin
    • dimethylpyrocarbonate
    • DMDCDimethyl pyrocarbonate
    • SCHEMBL48007
    • DTXCID4030675
    • CHEBI:173546
    • Dicarbonic acid, 1,3-dimethyl ester
    • AKOS015892861
    • FD57692
    • SY274597
    • DB-051287
    • NS00006957
    • D95912
    • Dimethyl dicarbonate, for histidine methylation
    • EN300-317040
    • Q416985
    • 224-859-8

  • Applications

    Dimethyl dicarbonate (CAS 4525-33-1) is widely used as a preservative in beverages such as wine, fruit juices, and beer to inhibit microbial growth during processing and storage. It also serves as a reactive intermediate in organic synthesis, acting as a carbonate source for the formation of carbonate esters and related specialty chemicals. In polymer and coatings formulations, DMDC can be used as a carbonate-containing building block or reactive additive in selected formulations. Additionally, it has been evaluated for antimicrobial use in industrial process water treatment and in packaging materials, with application limited by regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 148.68
    methanol 211.64
    isopropanol 127.09
    water 7.34
    ethyl acetate 69.79
    n-propanol 101.21
    acetone 158.79
    n-butanol 92.24
    acetonitrile 107.43
    DMF 428.41
    toluene 88.96
    isobutanol 75.4
    1,4-dioxane 258.59
    methyl acetate 113.18
    THF 297.32
    2-butanone 119.93
    n-pentanol 72.95
    sec-butanol 100.66
    n-hexane 19.58
    ethylene glycol 59.68
    NMP 346.7
    cyclohexane 35.3
    DMSO 460.64
    n-butyl acetate 40.41
    n-octanol 56.29
    chloroform 269.53
    n-propyl acetate 45.22
    acetic acid 84.31
    dichloromethane 276.99
    cyclohexanone 143.29
    propylene glycol 50.42
    isopropyl acetate 40.66
    DMAc 383.76
    2-ethoxyethanol 135.34
    isopentanol 76.05
    n-heptane 12.9
    ethyl formate 104.75
    1,2-dichloroethane 200.68
    n-hexanol 56.55
    2-methoxyethanol 242.6
    isobutyl acetate 24.48
    tetrachloromethane 53.14
    n-pentyl acetate 37.81
    transcutol 86.23
    n-heptanol 44.57
    ethylbenzene 51.54
    MIBK 48.9
    2-propoxyethanol 108.53
    tert-butanol 161.28
    MTBE 116.58
    2-butoxyethanol 79.24
    propionic acid 67.17
    o-xylene 77.44
    formic acid 93.05
    diethyl ether 111.97
    m-xylene 53.86
    p-xylene 68.12
    chlorobenzene 79.19
    dimethyl carbonate 67.5
    n-octane 9.27
    formamide 147.85
    cyclopentanone 167.74
    2-pentanone 81.94
    anisole 95.77
    cyclopentyl methyl ether 106.5
    gamma-butyrolactone 178.87
    1-methoxy-2-propanol 142.88
    pyridine 192.01
    3-pentanone 75.12
    furfural 211.55
    n-dodecane 9.64
    diethylene glycol 92.41
    diisopropyl ether 29.85
    tert-amyl alcohol 125.8
    acetylacetone 72.24
    n-hexadecane 10.67
    acetophenone 83.49
    methyl propionate 90.57
    isopentyl acetate 36.3
    trichloroethylene 235.01
    n-nonanol 49.78
    cyclohexanol 96.82
    benzyl alcohol 87.29
    2-ethylhexanol 35.56
    isooctanol 34.4
    dipropyl ether 44.61
    1,2-dichlorobenzene 76.86
    ethyl lactate 35.99
    propylene carbonate 82.51
    n-methylformamide 212.6
    2-pentanol 62.47
    n-pentane 22.55
    1-propoxy-2-propanol 67.51
    1-methoxy-2-propyl acetate 42.01
    2-(2-methoxypropoxy) propanol 64.68
    mesitylene 37.77
    ε-caprolactone 117.79
    p-cymene 27.91
    epichlorohydrin 242.45
    1,1,1-trichloroethane 125.19
    2-aminoethanol 83.85
    morpholine-4-carbaldehyde 276.46
    sulfolane 236.79
    2,2,4-trimethylpentane 11.75
    2-methyltetrahydrofuran 182.97
    n-hexyl acetate 51.33
    isooctane 7.05
    2-(2-butoxyethoxy)ethanol 72.86
    sec-butyl acetate 28.94
    tert-butyl acetate 43.82
    decalin 18.0
    glycerin 71.41
    diglyme 144.4
    acrylic acid 65.97
    isopropyl myristate 26.26
    n-butyric acid 69.09
    acetyl acetate 35.28
    di(2-ethylhexyl) phthalate 27.71
    ethyl propionate 48.88
    nitromethane 159.68
    1,2-diethoxyethane 54.38
    benzonitrile 83.99
    trioctyl phosphate 23.9
    1-bromopropane 124.33
    gamma-valerolactone 233.07
    n-decanol 37.52
    triethyl phosphate 31.25
    4-methyl-2-pentanol 35.61
    propionitrile 91.0
    vinylene carbonate 88.8
    1,1,2-trichlorotrifluoroethane 156.22
    DMS 39.32
    cumene 35.74
    2-octanol 37.14
    2-hexanone 60.77
    octyl acetate 35.43
    limonene 36.28
    1,2-dimethoxyethane 244.98
    ethyl orthosilicate 31.38
    tributyl phosphate 22.94
    diacetone alcohol 66.97
    N,N-dimethylaniline 93.03
    acrylonitrile 114.34
    aniline 99.31
    1,3-propanediol 107.68
    bromobenzene 80.92
    dibromomethane 196.74
    1,1,2,2-tetrachloroethane 253.54
    2-methyl-cyclohexyl acetate 36.86
    tetrabutyl urea 46.76
    diisobutyl methanol 24.94
    2-phenylethanol 58.09
    styrene 58.05
    dioctyl adipate 34.11
    dimethyl sulfate 109.58
    ethyl butyrate 38.23
    methyl lactate 58.63
    butyl lactate 32.74
    diethyl carbonate 31.19
    propanediol butyl ether 55.62
    triethyl orthoformate 33.76
    p-tert-butyltoluene 29.01
    methyl 4-tert-butylbenzoate 69.33
    morpholine 281.68
    tert-butylamine 105.16
    n-dodecanol 29.7
    dimethoxymethane 236.3
    ethylene carbonate 73.26
    cyrene 79.09
    2-ethoxyethyl acetate 43.57
    2-ethylhexyl acetate 31.6
    1,2,4-trichlorobenzene 90.68
    4-methylpyridine 193.55
    dibutyl ether 43.21
    2,6-dimethyl-4-heptanol 24.94
    DEF 148.28
    dimethyl isosorbide 78.15
    tetrachloroethylene 165.68
    eugenol 62.18
    triacetin 37.81
    span 80 49.03
    1,4-butanediol 54.72
    1,1-dichloroethane 146.83
    2-methyl-1-pentanol 64.74
    methyl formate 174.11
    2-methyl-1-butanol 74.15
    n-decane 14.0
    butyronitrile 95.68
    3,7-dimethyl-1-octanol 43.05
    1-chlorooctane 37.26
    1-chlorotetradecane 18.73
    n-nonane 13.34
    undecane 11.21
    tert-butylcyclohexane 15.23
    cyclooctane 13.24
    cyclopentanol 111.97
    tetrahydropyran 182.82
    tert-amyl methyl ether 96.2
    2,5,8-trioxanonane 101.83
    1-hexene 42.04
    2-isopropoxyethanol 79.56
    2,2,2-trifluoroethanol 52.07
    methyl butyrate 71.97

    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