Diethyl Pyrocarbonate

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  • Identifiers

    CAS number
    1609-47-8

    Molecular formula
    C6H10O5

    SMILES
    CCOC(=O)OC(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 55.96%
    Ethereal 37.97%
    Winey 32.86%
    Green 32.34%
    Fresh 31.56%
    Apple 30.28%
    Alcoholic 19.67%
    Herbal 19.4%
    Clean 18.53%
    Floral 17.37%

     

    Flavor
    Fruity 86.05%
    Green 59.11%
    Apple 51.93%
    Sweet 45.94%
    Fruit 40.79%
    Bitter 40.34%
    Pear 36.21%
    Pineapple 35.27%
    Tropical 33.82%
    Wine 33.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.11 (neutral)

    Molecular weight
    162.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    186°C

    Melting point expt.

    • < 25 °C

    Flash point

    • 68.22 ˚C est.

  • Synonyms

    • diethyl pyrocarbonate
    • 1609-47-8
    • Diethyl dicarbonate
    • DEPC
    • Diethyl oxydiformate
    • Diethylpyrocarbonate
    • Baycovin
    • Ethyl pyrocarbonate
    • Piref
    • Dicarbonic acid, diethyl ester
    • Dicarbonic acid diethyl ester
    • Diethyl pyrocarbonic acid
    • Oxydiformic acid diethyl ester
    • Pyrocarbonic acid diethyl ester
    • Diethylpyrokarbonat
    • Ethoxyformic acid anhydride
    • Pyrocarbonate d'ethyle
    • Pyrokohlensaeure diaethyl ester
    • Diethylester kyseliny diuhlicite
    • Pyrocarbonic acid, diethyl ester
    • Diethyl ester of pyrocarbonic acid
    • Dicarbonate, Diethyl
    • Oxydiformate, Diethyl
    • Pyrocarbonate, Diethyl
    • Anhydride, Ethoxyformic
    • DTXSID2051764
    • LMR3LZG146
    • UE-5908
    • DTXCID1030319
    • CHEBI:59051
    • RefChem:133441
    • 216-542-8
    • Ethoxyformic Anhydride
    • ethoxycarbonyl ethyl carbonate
    • Dicarbonic acid, 1,3-diethyl ester
    • MFCD00009106
    • FORMIC ACID, OXYDI-, DIETHYL ESTER
    • CHEMBL55517
    • DKD
    • UNII-LMR3LZG146
    • Diethylpyrokarbonat [Czech]
    • CCRIS 4920
    • Diethyldicarbonate
    • Pyrocarbonate d'ethyle [French]
    • EINECS 216-542-8
    • BRN 0637031
    • Diethylester kyseliny diuhlicite [Czech]
    • Pyrokohlensaeure diaethyl ester [German]
    • Pyrocarbonate d''ethyle
    • ethoxycarbonyl ethoxyformate
    • Diethyl pyrocarbonate, 97%
    • SCHEMBL15582
    • 4-03-00-00018 (Beilstein Handbook Reference)
    • orb1944980
    • DIETHYL PYROCARBONATE [MI]
    • Diethyl pyrocarbonate, 99% (NT)
    • HY-D0846
    • Tox21_303976
    • BDBM50035000
    • Dicarbonic acid, C,C'-diethyl ester
    • AKOS015900388
    • Diethyl pyrocarbonate, >=97% (NMR)
    • EBC-612838
    • FD11913
    • carbonic acid, ethoxycarbonyl ethyl ester
    • NCGC00357200-01
    • AS-10585
    • DA-52522
    • CARBONIC ACID,ETHYL ESTER,ANHYDRIDE
    • CAS-1609-47-8
    • DICARBONIC ACID C,C'-DIETHYL ESTER
    • CS-0014816
    • NS00021720
    • ST51037226
    • EN300-84341
    • Diethyl pyrocarbonate, purum, >=97.0% (NT)
    • H11295
    • 609D478
    • F241133
    • Q421385
    • Diethyl pyrocarbonate, Vetec(TM) reagent grade, >=97%
    • Dicarbonic Acid, Diethyl Ester; Formic Acid, Oxydi-, Diethyl Ester;
    • InChI=1/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H
    • 1609-47-8

  • Applications

    Diethyl Pyrocarbonate (CAS 1609-47-8) is an organophosphorus reagent primarily used in organic synthesis as an electrophilic carbonylating agent to form carbamate derivatives on amines and related nucleophiles; in molecular biology it is widely used to inactivate RNases by covalently modifying active-site residues, enabling the preparation of RNase-free water, buffers, and reagents for RNA work; in protein chemistry it serves as a tool to selectively modify histidine residues, supporting studies of enzyme active sites and protein function; it may also be employed as an intermediate in the preparation of carbamate-containing compounds and related materials, with handling and use governed by safety and regulatory guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.58
    methanol 178.34
    isopropanol 133.9
    water 1.49
    ethyl acetate 266.89
    n-propanol 106.19
    acetone 565.95
    n-butanol 98.75
    acetonitrile 217.45
    DMF 1517.6
    toluene 130.41
    isobutanol 80.28
    1,4-dioxane 508.78
    methyl acetate 340.44
    THF 1069.4
    2-butanone 298.56
    n-pentanol 72.02
    sec-butanol 107.74
    n-hexane 17.04
    ethylene glycol 63.8
    NMP 2177.91
    cyclohexane 34.57
    DMSO 1297.85
    n-butyl acetate 131.22
    n-octanol 43.9
    chloroform 524.34
    n-propyl acetate 130.82
    acetic acid 669.64
    dichloromethane 584.54
    cyclohexanone 557.9
    propylene glycol 81.96
    isopropyl acetate 168.3
    DMAc 1145.92
    2-ethoxyethanol 159.73
    isopentanol 87.16
    n-heptane 9.16
    ethyl formate 207.86
    1,2-dichloroethane 405.37
    n-hexanol 65.95
    2-methoxyethanol 384.14
    isobutyl acetate 74.43
    tetrachloromethane 45.82
    n-pentyl acetate 102.48
    transcutol 258.62
    n-heptanol 36.73
    ethylbenzene 62.47
    MIBK 132.46
    2-propoxyethanol 182.06
    tert-butanol 188.01
    MTBE 143.18
    2-butoxyethanol 98.47
    propionic acid 251.27
    o-xylene 90.02
    formic acid 208.31
    diethyl ether 140.44
    m-xylene 77.84
    p-xylene 89.5
    chlorobenzene 234.41
    dimethyl carbonate 228.71
    n-octane 5.35
    formamide 382.76
    cyclopentanone 923.62
    2-pentanone 243.81
    anisole 152.74
    cyclopentyl methyl ether 311.93
    gamma-butyrolactone 1233.92
    1-methoxy-2-propanol 288.8
    pyridine 609.54
    3-pentanone 186.8
    furfural 1023.32
    n-dodecane 6.18
    diethylene glycol 153.33
    diisopropyl ether 46.04
    tert-amyl alcohol 141.63
    acetylacetone 422.5
    n-hexadecane 7.25
    acetophenone 201.97
    methyl propionate 307.86
    isopentyl acetate 121.66
    trichloroethylene 883.18
    n-nonanol 43.37
    cyclohexanol 156.06
    benzyl alcohol 128.2
    2-ethylhexanol 46.3
    isooctanol 31.01
    dipropyl ether 64.39
    1,2-dichlorobenzene 225.5
    ethyl lactate 87.56
    propylene carbonate 584.39
    n-methylformamide 469.67
    2-pentanol 75.51
    n-pentane 14.77
    1-propoxy-2-propanol 119.2
    1-methoxy-2-propyl acetate 173.4
    2-(2-methoxypropoxy) propanol 140.14
    mesitylene 50.83
    ε-caprolactone 526.2
    p-cymene 36.8
    epichlorohydrin 948.65
    1,1,1-trichloroethane 293.14
    2-aminoethanol 96.47
    morpholine-4-carbaldehyde 1049.92
    sulfolane 1663.65
    2,2,4-trimethylpentane 10.47
    2-methyltetrahydrofuran 556.13
    n-hexyl acetate 145.73
    isooctane 7.27
    2-(2-butoxyethoxy)ethanol 148.53
    sec-butyl acetate 91.32
    tert-butyl acetate 198.92
    decalin 22.34
    glycerin 149.52
    diglyme 264.2
    acrylic acid 313.56
    isopropyl myristate 57.14
    n-butyric acid 265.62
    acetyl acetate 264.22
    di(2-ethylhexyl) phthalate 84.69
    ethyl propionate 149.81
    nitromethane 1103.48
    1,2-diethoxyethane 100.68
    benzonitrile 205.14
    trioctyl phosphate 52.28
    1-bromopropane 149.17
    gamma-valerolactone 1143.76
    n-decanol 34.07
    triethyl phosphate 79.53
    4-methyl-2-pentanol 45.03
    propionitrile 131.47
    vinylene carbonate 527.69
    1,1,2-trichlorotrifluoroethane 597.89
    DMS 201.82
    cumene 41.89
    2-octanol 31.74
    2-hexanone 127.74
    octyl acetate 77.95
    limonene 55.68
    1,2-dimethoxyethane 354.92
    ethyl orthosilicate 66.46
    tributyl phosphate 69.97
    diacetone alcohol 233.7
    N,N-dimethylaniline 127.6
    acrylonitrile 248.42
    aniline 185.65
    1,3-propanediol 146.45
    bromobenzene 229.71
    dibromomethane 319.05
    1,1,2,2-tetrachloroethane 625.35
    2-methyl-cyclohexyl acetate 113.14
    tetrabutyl urea 107.42
    diisobutyl methanol 33.46
    2-phenylethanol 110.6
    styrene 83.95
    dioctyl adipate 99.87
    dimethyl sulfate 526.74
    ethyl butyrate 103.27
    methyl lactate 201.41
    butyl lactate 86.16
    diethyl carbonate 87.33
    propanediol butyl ether 103.21
    triethyl orthoformate 81.9
    p-tert-butyltoluene 38.82
    methyl 4-tert-butylbenzoate 171.43
    morpholine 597.57
    tert-butylamine 95.45
    n-dodecanol 27.32
    dimethoxymethane 453.06
    ethylene carbonate 369.78
    cyrene 224.86
    2-ethoxyethyl acetate 144.77
    2-ethylhexyl acetate 99.42
    1,2,4-trichlorobenzene 310.16
    4-methylpyridine 551.96
    dibutyl ether 58.44
    2,6-dimethyl-4-heptanol 33.46
    DEF 427.23
    dimethyl isosorbide 306.49
    tetrachloroethylene 351.0
    eugenol 150.06
    triacetin 170.19
    span 80 136.76
    1,4-butanediol 51.15
    1,1-dichloroethane 304.16
    2-methyl-1-pentanol 69.49
    methyl formate 408.4
    2-methyl-1-butanol 81.27
    n-decane 8.44
    butyronitrile 131.55
    3,7-dimethyl-1-octanol 45.77
    1-chlorooctane 33.42
    1-chlorotetradecane 19.23
    n-nonane 7.57
    undecane 7.06
    tert-butylcyclohexane 16.07
    cyclooctane 11.45
    cyclopentanol 244.74
    tetrahydropyran 377.77
    tert-amyl methyl ether 126.96
    2,5,8-trioxanonane 217.26
    1-hexene 51.27
    2-isopropoxyethanol 101.16
    2,2,2-trifluoroethanol 227.59
    methyl butyrate 203.07

    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