Ethyl chloroformate

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  • Identifiers

    CAS number
    541-41-3

    Molecular formula
    C3H5ClO2

    SMILES
    CCOC(=O)Cl

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Fruity 73.7%
    Ethereal 54.45%
    Winey 46.38%
    Apple 45.26%
    Green 42.13%
    Sharp 37.61%
    Fresh 36.04%
    Rummy 33.11%
    Sour 32.89%
    Grape 32.53%

     

    Flavor
    Fruity 63.57%
    Sharp 34.24%
    Sweet 33.69%
    Cheese 31.7%
    Fruit 29.75%
    Pungent 29.14%
    Pineapple 28.21%
    Green 27.9%
    Tropical 27.27%
    Sour 26.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.73 (neutral)

    Molecular weight
    108.52 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -114 °F (USCG, 1999)
    • -80.6 °C

    Boiling point

    • 201 °F at 760 mmHg (USCG, 1999)
    • 95 °C @ 760 MM HG
    • 95 °C

    Flash point

    • 11.9 ˚C est.
    • 61 °F (USCG, 1999)
    • 16 °C
    • 61 °F (16 °C) (CLOSED CUP)
    • 16 °C c.c.

    Solubility expt.

    • PRACTICALLY INSOL & GRADUALLY DECOMP IN WATER
    • MISCIBLE WITH ALC, BENZENE, CHLOROFORM, ETHER
    • Solubility in water: reaction

  • Synonyms

    • ETHYL CHLOROFORMATE
    • 541-41-3
    • Ethyl carbonochloridate
    • Ethyl chlorocarbonate
    • Cathyl chloride
    • Ethoxycarbonyl chloride
    • Chloroformic acid ethyl ester
    • Carbonochloridic acid, ethyl ester
    • Etil cloroformiato
    • Ethylchloorformiaat
    • ETHYLCHLOROFORMATE
    • Etil clorocarbonato
    • Formic acid, chloro-, ethyl ester
    • Chlorocarbonic acid ethyl ester
    • Ethyl chloromethanoate
    • Chlorocarbonate D'ethyle
    • Ethyle, chloroformiat D'
    • Clhorameisensaeureaethylester
    • Ethylchloorformiaat [Dutch]
    • Etil cloroformiato [Italian]
    • Cloroformiato de etilo
    • Etil clorocarbonato [Italian]
    • chloro(ethoxy)methanone
    • TL 423
    • HSDB 409
    • Ethylester kyseliny chlormravenci
    • Cloroformiato de etilo [Spanish]
    • Chlorocarbonate d'ethyle [French]
    • Ethyle, chloroformiat d' [French]
    • Chlorameisensaeureaethylester
    • EINECS 208-778-5
    • UN1182
    • Chlorameisensaeureaethylester [German]
    • Clhorameisensaeureaethylester [German]
    • BRN 0385653
    • Ethylester kyseliny chlormravenci [Czech]
    • DTXSID1027186
    • Ethyl chloridocarbonate
    • AI3-19852
    • 09601EZP9R
    • Chloroformic acid, ethyl ester
    • DTXCID707186
    • ETHYL CHLOROFORMATE [MI]
    • EC 208-778-5
    • ETHYL CHLOROFORMATE [HSDB]
    • ECF
    • Cloroformiato de etilo (Spanish)
    • ETHYLCHLOORFORMIAAT (DUTCH)
    • ETIL CLOROFORMIATO (ITALIAN)
    • ETIL CLOROCARBONATO (ITALIAN)
    • CHLOROCARBONATE D'ETHYLE (FRENCH)
    • ETHYLE, CHLOROFORMIAT D' (FRENCH)
    • CHLORAMEISENSAEUREAETHYLESTER (GERMAN)
    • UNII-09601EZP9R
    • ethylcloroformate
    • carbonochloridic acid ethyl ester
    • ethyl chlorformate
    • ethyl choroformate
    • ethyl cloroformate
    • ethylchorocarbonate
    • ethvl chloroformate
    • ethyl chioroformate
    • ClCOOEt
    • ethylchlorocarbanate
    • ethylchlorocarbonate
    • EtOCOCl
    • carboethoxy chloride
    • ethyl chlorcarbonate
    • Ethyl chloroforrnate
    • chloro ethyl formate
    • ethyl chloro-formate
    • ethyl chloroform ate
    • ethyl-chloro-formate
    • ClCO2Et
    • ethoxycarbonylchloride
    • ethyl carbonchloridate
    • ethyl chloro-carbonate
    • ethyl-carbonochloridate
    • EtOC(O)Cl
    • ethyl chloroformic acid
    • CH3CH2OCOCl
    • C2H5OCOCl
    • ClCOOC2H5
    • chloroformic ethyl ester
    • Ethyle, chloroformiat d
    • Ethoxy carbonyl chloride
    • ClCO2CH2CH3
    • ethyl chlorocarbonic acid
    • ClCO2C2H5
    • Ethyl chloridocarbonate #
    • SCHEMBL342
    • Ethyl chloroformate, 97%
    • chloroformic acid ethylester
    • CHEMBL3183406
    • Chlorocarbonic acid, ethyl ester
    • RIFGWPKJUGCATF-UHFFFAOYSA-
    • Formic acid, chloro, ethyl ester
    • Tox21_201034
    • BBL011487
    • MFCD00000644
    • STL146599
    • AKOS000119319
    • UN 1182
    • NCGC00248902-01
    • NCGC00258587-01
    • CAS-541-41-3
    • VS-02959
    • Ethyl chloroformate [UN1182] [Poison]
    • DB-052494
    • NS00005955
    • EN300-19001
    • Ethyl chloroformate, purum, >=98.0% (GC)
    • Q288339
    • F2190-0128
    • InChI=1/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
    • 208-778-5

  • Applications

    Ethyl chloroformate (CAS 541-41-3) is a reactive chlorocarbonate reagent used primarily to form ethyl carbamates from amines, providing amine protection and building blocks for carbamate derivatives; it also reacts with alcohols and phenols to give carbonate esters (alkyl or aryl carbonates) that support polymer, coatings, and adhesive formulation. In addition, carbamate and carbonate derivatives prepared from ethyl chloroformate serve as intermediates or protecting-group precursors in fragrance and pharmaceutical synthesis, and the reagent is employed as a versatile building block in process chemistry for industrial production under appropriate handling and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 523.28
    methanol 641.04
    isopropanol 394.19
    water 7.38
    ethyl acetate 1381.58
    n-propanol 390.22
    acetone 2271.79
    n-butanol 369.01
    acetonitrile 1826.81
    DMF 4580.97
    toluene 434.62
    isobutanol 275.4
    1,4-dioxane 1387.1
    methyl acetate 1456.41
    THF 1596.39
    2-butanone 1299.36
    n-pentanol 322.26
    sec-butanol 371.83
    n-hexane 85.26
    ethylene glycol 242.28
    NMP 4207.47
    cyclohexane 133.1
    DMSO 4369.14
    n-butyl acetate 668.71
    n-octanol 223.33
    chloroform 1557.27
    n-propyl acetate 760.31
    acetic acid 2510.31
    dichloromethane 2056.38
    cyclohexanone 1725.97
    propylene glycol 212.87
    isopropyl acetate 711.98
    DMAc 2782.25
    2-ethoxyethanol 708.69
    isopentanol 305.16
    n-heptane 54.14
    ethyl formate 929.69
    1,2-dichloroethane 1530.95
    n-hexanol 262.93
    2-methoxyethanol 1195.94
    isobutyl acetate 318.46
    tetrachloromethane 203.34
    n-pentyl acetate 488.74
    transcutol 1741.31
    n-heptanol 140.82
    ethylbenzene 268.55
    MIBK 513.23
    2-propoxyethanol 597.03
    tert-butanol 551.08
    MTBE 551.85
    2-butoxyethanol 334.77
    propionic acid 869.71
    o-xylene 324.12
    formic acid 838.64
    diethyl ether 695.63
    m-xylene 316.9
    p-xylene 369.25
    chlorobenzene 917.84
    dimethyl carbonate 737.55
    n-octane 29.75
    formamide 1447.96
    cyclopentanone 2082.62
    2-pentanone 1100.82
    anisole 745.7
    cyclopentyl methyl ether 814.65
    gamma-butyrolactone 2732.5
    1-methoxy-2-propanol 904.83
    pyridine 1695.71
    3-pentanone 905.5
    furfural 2968.96
    n-dodecane 28.79
    diethylene glycol 534.5
    diisopropyl ether 222.59
    tert-amyl alcohol 463.32
    acetylacetone 1742.28
    n-hexadecane 33.51
    acetophenone 852.21
    methyl propionate 1177.95
    isopentyl acetate 464.46
    trichloroethylene 3181.89
    n-nonanol 194.97
    cyclohexanol 463.85
    benzyl alcohol 520.38
    2-ethylhexanol 181.57
    isooctanol 113.6
    dipropyl ether 287.52
    1,2-dichlorobenzene 881.96
    ethyl lactate 341.81
    propylene carbonate 1357.78
    n-methylformamide 1709.35
    2-pentanol 299.97
    n-pentane 74.96
    1-propoxy-2-propanol 428.77
    1-methoxy-2-propyl acetate 672.43
    2-(2-methoxypropoxy) propanol 435.16
    mesitylene 212.98
    ε-caprolactone 1510.32
    p-cymene 152.45
    epichlorohydrin 2292.16
    1,1,1-trichloroethane 1252.33
    2-aminoethanol 335.49
    morpholine-4-carbaldehyde 2828.07
    sulfolane 3883.05
    2,2,4-trimethylpentane 45.49
    2-methyltetrahydrofuran 1243.53
    n-hexyl acetate 720.94
    isooctane 31.29
    2-(2-butoxyethoxy)ethanol 610.6
    sec-butyl acetate 425.29
    tert-butyl acetate 722.92
    decalin 77.08
    glycerin 386.92
    diglyme 1150.48
    acrylic acid 1119.09
    isopropyl myristate 248.24
    n-butyric acid 930.78
    acetyl acetate 1163.27
    di(2-ethylhexyl) phthalate 235.15
    ethyl propionate 736.59
    nitromethane 5302.76
    1,2-diethoxyethane 697.84
    benzonitrile 983.99
    trioctyl phosphate 175.4
    1-bromopropane 628.31
    gamma-valerolactone 2646.52
    n-decanol 149.54
    triethyl phosphate 248.35
    4-methyl-2-pentanol 161.16
    propionitrile 806.96
    vinylene carbonate 1440.35
    1,1,2-trichlorotrifluoroethane 1596.76
    DMS 785.95
    cumene 164.26
    2-octanol 140.99
    2-hexanone 662.54
    octyl acetate 340.19
    limonene 235.26
    1,2-dimethoxyethane 1349.81
    ethyl orthosilicate 215.06
    tributyl phosphate 250.06
    diacetone alcohol 742.26
    N,N-dimethylaniline 519.5
    acrylonitrile 1443.69
    aniline 574.55
    1,3-propanediol 472.16
    bromobenzene 961.14
    dibromomethane 1191.77
    1,1,2,2-tetrachloroethane 1900.47
    2-methyl-cyclohexyl acetate 340.88
    tetrabutyl urea 366.19
    diisobutyl methanol 120.98
    2-phenylethanol 388.29
    styrene 422.79
    dioctyl adipate 388.87
    dimethyl sulfate 1559.49
    ethyl butyrate 524.55
    methyl lactate 597.52
    butyl lactate 355.09
    diethyl carbonate 379.93
    propanediol butyl ether 410.0
    triethyl orthoformate 308.75
    p-tert-butyltoluene 149.49
    methyl 4-tert-butylbenzoate 532.57
    morpholine 1447.57
    tert-butylamine 302.91
    n-dodecanol 121.73
    dimethoxymethane 1428.04
    ethylene carbonate 1072.86
    cyrene 544.73
    2-ethoxyethyl acetate 728.08
    2-ethylhexyl acetate 373.12
    1,2,4-trichlorobenzene 1047.46
    4-methylpyridine 1723.19
    dibutyl ether 324.3
    2,6-dimethyl-4-heptanol 120.98
    DEF 1810.92
    dimethyl isosorbide 850.93
    tetrachloroethylene 1172.16
    eugenol 518.1
    triacetin 728.82
    span 80 453.11
    1,4-butanediol 227.22
    1,1-dichloroethane 1249.23
    2-methyl-1-pentanol 273.75
    methyl formate 1475.05
    2-methyl-1-butanol 292.97
    n-decane 44.2
    butyronitrile 775.95
    3,7-dimethyl-1-octanol 196.94
    1-chlorooctane 182.54
    1-chlorotetradecane 82.4
    n-nonane 42.85
    undecane 33.92
    tert-butylcyclohexane 63.42
    cyclooctane 49.34
    cyclopentanol 527.36
    tetrahydropyran 1015.78
    tert-amyl methyl ether 498.86
    2,5,8-trioxanonane 851.79
    1-hexene 269.93
    2-isopropoxyethanol 440.43
    2,2,2-trifluoroethanol 797.0
    methyl butyrate 959.25

    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