Ethyl chloroacetate

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  • Identifiers

    CAS number
    105-39-5

    Molecular formula
    C4H7ClO2

    SMILES
    CCOC(=O)CCl

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fruity 84.61%
    Winey 54.39%
    Sweet 51.92%
    Ethereal 51.63%
    Caramellic 49.87%
    Green 42.81%
    Apple 40.35%
    Rummy 38.45%
    Fermented 36.26%
    Pineapple 36.19%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    Molecular weight
    122.55 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -15 °F (USCG, 1999)
    • -26 °C

    Boiling point

    • 289 °F at 760 mmHg (USCG, 1999)
    • 144-146 °C
    • 144.2 °C

    Flash point est.
    44.2 ˚C

    Flash point expt.

    • 100 °F (USCG, 1999)
    • 53 °C
    • 147 °F (64 °C) (OPEN CUP)
    • 53 °C c.c.

    Solubility expt.

    • Insol in water; miscible with alc, ether
    • Sol in benzene
    • Insoluble in water, miscible in ethanol, acetone and ethyl ether
    • Miscible in oxygenated solvents
    • Solubility in water, g/100ml at 20 °C: 1.23

  • Synonyms

    • ETHYL CHLOROACETATE
    • 105-39-5
    • ethyl 2-chloroacetate
    • Ethyl chloracetate
    • Chloroacetic acid ethyl ester
    • Acetic acid, chloro-, ethyl ester
    • Ethyl monochloroacetate
    • Ethyl monochloracetate
    • Ethyl chloroethanoate
    • Ethyl alpha-chloroacetate
    • 2-Chloroacetic Acid Ethyl Ester
    • NSC 8833
    • Chloroacetic acid, ethyl ester
    • Ethylester kyseliny chloroctove
    • CCRIS 7747
    • HSDB 408
    • ETHYLCHLOROACETATE
    • Ethyl ester of chloroacetic acid
    • UNII-6H07TEH4TF
    • Ethyl .alpha.-chloroacetate
    • EINECS 203-294-0
    • 6H07TEH4TF
    • UN1181
    • Ethylester kyseliny chloroctove [Czech]
    • BRN 0506455
    • DTXSID4026715
    • AI3-19743
    • NSC-8833
    • Acetic acid, 2-chloro-, ethyl ester
    • DTXCID306715
    • ETHYL CHLOROACETATE [MI]
    • EC 203-294-0
    • ETHYL CHLOROACETATE [HSDB]
    • 4-02-00-00481 (Beilstein Handbook Reference)
    • UN 1181
    • Pulsatilla Saponin D (90%)
    • (Ethoxycarbonyl)methyl Chloride
    • ehyl chloroacetate
    • ClCH2COOEt
    • MFCD00000932
    • Ethyl-2-chloroacetate
    • C1CH2COOEt
    • ethyl 2-chloroethanoate
    • Ethyl alphachloroacetate
    • Ethyl-2-monochloroacetate
    • Ethyl chloroacetate, 99%
    • SCHEMBL59424
    • Chloroacetic acid-ethyl ester
    • chloro acetic acid ethyl ester
    • chloro-acetic acid ethyl ester
    • CHEMBL3186148
    • Monochloroacetic acid ethyl ester
    • Acetic acid, chloro, ethyl ester
    • NSC8833
    • Acetic acid, 2chloro, ethyl ester
    • Tox21_201053
    • BBL012578
    • STL163644
    • AKOS000118975
    • FE23039
    • NCGC00248909-01
    • NCGC00258606-01
    • BP-21332
    • CAS-105-39-5
    • VS-03394
    • Ethyl chloroacetate [UN1181] [Poison]
    • MONOCHLORETHANOIC ACID, ETHYL ESTER
    • NS00001557
    • EN300-18308
    • Ethyl chloroacetate, purum, >=98.0% (GC)
    • Q424825
    • F1908-0062
    • 2-Chloro-acetic acid ethyl ester;(Ethoxycarbonyl)methyl chloride;2-Chloroacetic acid ethyl ester
    • 203-294-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 125.07
    methanol 212.21
    isopropanol 88.26
    water 8.73
    ethyl acetate 195.86
    n-propanol 88.75
    acetone 432.54
    n-butanol 76.02
    acetonitrile 425.9
    DMF 715.2
    toluene 72.96
    isobutanol 61.12
    1,4-dioxane 345.34
    methyl acetate 231.68
    THF 340.9
    2-butanone 200.77
    n-pentanol 67.6
    sec-butanol 74.18
    n-hexane 21.23
    ethylene glycol 77.42
    NMP 782.22
    cyclohexane 33.83
    DMSO 911.35
    n-butyl acetate 110.58
    n-octanol 52.24
    chloroform 333.57
    n-propyl acetate 111.66
    acetic acid 438.98
    dichloromethane 451.04
    cyclohexanone 297.14
    propylene glycol 49.81
    isopropyl acetate 98.9
    DMAc 643.18
    2-ethoxyethanol 160.48
    isopentanol 63.97
    n-heptane 16.78
    ethyl formate 155.83
    1,2-dichloroethane 307.96
    n-hexanol 52.6
    2-methoxyethanol 278.38
    isobutyl acetate 62.76
    tetrachloromethane 57.64
    n-pentyl acetate 79.65
    transcutol 517.89
    n-heptanol 30.86
    ethylbenzene 51.85
    MIBK 80.62
    2-propoxyethanol 130.21
    tert-butanol 111.41
    MTBE 99.51
    2-butoxyethanol 73.86
    propionic acid 149.09
    o-xylene 68.96
    formic acid 207.48
    diethyl ether 140.81
    m-xylene 58.9
    p-xylene 75.76
    chlorobenzene 151.21
    dimethyl carbonate 88.99
    n-octane 8.05
    formamide 301.55
    cyclopentanone 372.37
    2-pentanone 153.71
    anisole 134.38
    cyclopentyl methyl ether 152.52
    gamma-butyrolactone 464.07
    1-methoxy-2-propanol 170.23
    pyridine 287.26
    3-pentanone 138.6
    furfural 525.32
    n-dodecane 8.57
    diethylene glycol 151.57
    diisopropyl ether 36.87
    tert-amyl alcohol 88.45
    acetylacetone 271.18
    n-hexadecane 9.74
    acetophenone 149.16
    methyl propionate 156.04
    isopentyl acetate 90.31
    trichloroethylene 520.93
    n-nonanol 46.37
    cyclohexanol 98.04
    benzyl alcohol 111.19
    2-ethylhexanol 44.78
    isooctanol 28.25
    dipropyl ether 69.22
    1,2-dichlorobenzene 162.28
    ethyl lactate 65.66
    propylene carbonate 215.69
    n-methylformamide 285.94
    2-pentanol 50.3
    n-pentane 17.3
    1-propoxy-2-propanol 86.04
    1-methoxy-2-propyl acetate 115.56
    2-(2-methoxypropoxy) propanol 139.55
    mesitylene 39.87
    ε-caprolactone 250.32
    p-cymene 40.06
    epichlorohydrin 388.95
    1,1,1-trichloroethane 202.11
    2-aminoethanol 87.13
    morpholine-4-carbaldehyde 590.79
    sulfolane 623.77
    2,2,4-trimethylpentane 11.14
    2-methyltetrahydrofuran 238.53
    n-hexyl acetate 126.94
    isooctane 6.77
    2-(2-butoxyethoxy)ethanol 163.08
    sec-butyl acetate 67.49
    tert-butyl acetate 101.78
    decalin 21.26
    glycerin 107.59
    diglyme 336.74
    acrylic acid 194.23
    isopropyl myristate 52.07
    n-butyric acid 146.29
    acetyl acetate 163.91
    di(2-ethylhexyl) phthalate 62.1
    ethyl propionate 111.02
    nitromethane 806.25
    1,2-diethoxyethane 159.98
    benzonitrile 193.85
    trioctyl phosphate 40.07
    1-bromopropane 121.33
    gamma-valerolactone 493.88
    n-decanol 36.3
    triethyl phosphate 67.44
    4-methyl-2-pentanol 30.16
    propionitrile 166.19
    vinylene carbonate 225.16
    1,1,2-trichlorotrifluoroethane 319.92
    DMS 137.54
    cumene 42.39
    2-octanol 28.14
    2-hexanone 111.05
    octyl acetate 66.99
    limonene 59.23
    1,2-dimethoxyethane 350.14
    ethyl orthosilicate 61.03
    tributyl phosphate 55.9
    diacetone alcohol 120.76
    N,N-dimethylaniline 115.03
    acrylonitrile 263.96
    aniline 118.02
    1,3-propanediol 110.53
    bromobenzene 152.75
    dibromomethane 266.51
    1,1,2,2-tetrachloroethane 353.65
    2-methyl-cyclohexyl acetate 81.22
    tetrabutyl urea 89.63
    diisobutyl methanol 32.44
    2-phenylethanol 83.76
    styrene 73.77
    dioctyl adipate 91.73
    dimethyl sulfate 222.8
    ethyl butyrate 96.78
    methyl lactate 95.1
    butyl lactate 65.02
    diethyl carbonate 81.45
    propanediol butyl ether 90.46
    triethyl orthoformate 74.84
    p-tert-butyltoluene 35.72
    methyl 4-tert-butylbenzoate 117.93
    morpholine 314.28
    tert-butylamine 71.29
    n-dodecanol 30.26
    dimethoxymethane 243.09
    ethylene carbonate 164.59
    cyrene 146.89
    2-ethoxyethyl acetate 133.14
    2-ethylhexyl acetate 76.21
    1,2,4-trichlorobenzene 194.32
    4-methylpyridine 281.69
    dibutyl ether 79.13
    2,6-dimethyl-4-heptanol 32.44
    DEF 270.27
    dimethyl isosorbide 230.94
    tetrachloroethylene 249.37
    eugenol 123.63
    triacetin 159.51
    span 80 112.35
    1,4-butanediol 55.65
    1,1-dichloroethane 216.28
    2-methyl-1-pentanol 61.79
    methyl formate 242.41
    2-methyl-1-butanol 61.4
    n-decane 12.52
    butyronitrile 152.11
    3,7-dimethyl-1-octanol 51.33
    1-chlorooctane 44.43
    1-chlorotetradecane 22.76
    n-nonane 12.36
    undecane 9.96
    tert-butylcyclohexane 17.4
    cyclooctane 11.63
    cyclopentanol 116.93
    tetrahydropyran 206.3
    tert-amyl methyl ether 86.74
    2,5,8-trioxanonane 267.92
    1-hexene 54.43
    2-isopropoxyethanol 100.79
    2,2,2-trifluoroethanol 168.66
    methyl butyrate 142.28

    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