Chloroacetic acid

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  • Identifiers

    CAS number
    79-11-8

    Molecular formula
    C2H3ClO2

    SMILES
    C(C(=O)O)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 70.39%
    Sour 51.43%
    Cheesy 34.45%
    Sharp 27.53%
    Buttery 26.61%
    Caramellic 24.94%
    Milky 24.37%
    Dairy 22.37%
    Creamy 19.84%
    Fatty 19.77%

     

    Flavor
    Odorless 70.78%
    Sour 40.27%
    Acidic 31.66%
    Mild 26.31%
    Vinegar 23.31%
    Pungent 23.22%
    Yeast 22.59%
    Bland 22.18%
    Mousy 21.84%
    Soy 21.61%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.04 [mmHg]. Odor Threshold High: 6.14 [mmHg]. [HSDB] Odor threshold from CHEMINFO
    • 0.01 ppm, 0.042 mg/cu m

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.18 (neutral)

    Molecular weight
    94.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 145 °F (EPA, 1998)
    • 50-63 °C
    • Exists in alpha, beta, and gamma forms having mp 63 °C, 55-56 °C, and 50 °C respectively. MP for acid of commerce: 61-63 °C
    • Heat of fusion at the melting point = 1.2285X10+7 J/kmol
    • 52.5 °C

    Boiling point

    • 372 °F at 760 mmHg (EPA, 1998)
    • 189.1 °C
    • 187.00 to 190.00 °C. @ 760.00 mm Hg
    • 189 °C

    Flash point

    • 103.67 ˚C est.
    • 302 °F (EPA, 1998)
    • 259 °F (USCG, 1999)
    • 126 °C
    • 259 °F (126 °C) (Closed cup)
    • 126 °C c.c.
    • 259 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
    • In water, 8.58X10+5 mg/L at 25 °C
    • Soluble in ethanol, diethyl ether, benzene, chloroform; slightly soluble in carbon tetrachloride
    • ... good solubility in methanol, acetone, diethyl ether, and ethanol, but is only sparingly soluble in hydrocarbons and chlorinated hydrocarbons.
    • 858 mg/mL at 25 °C
    • Solubility in water at 20 °C: very good

  • Synonyms

    • chloroacetic acid
    • Monochloroacetic acid
    • 79-11-8
    • 2-chloroacetic acid
    • Chloracetic acid
    • Chloroethanoic acid
    • Acetic acid, chloro-
    • Acide chloracetique
    • Monochloroethanoic acid
    • Monochloracetic acid
    • Monochloorazijnzuur
    • Monochloressigsaeure
    • Acidomonocloroacetico
    • 2-chloro-acetic acid
    • Acide monochloracetique
    • Chloroacetic acid, solid
    • Acide chloroacetique
    • Kyselina chloroctova
    • Acetocaustin
    • Chloroacetic
    • 2-chloro-ethanoic acid
    • Caswell No. 179B
    • Chloroacetic acid [BSI:ISO]
    • Acetic acid, 2-chloro-
    • .alpha.-Chloroacetic acid
    • NSC 142
    • Monochloorazijnzuur [Dutch]
    • NCI-C60231
    • Acide chloracetique [French]
    • Kyselina chloroctova [Czech]
    • monochloro acetic acid
    • Monochloressigsaeure [German]
    • Acide chloroacetique [French]
    • alpha-Chloroacetic acid
    • Acidomonocloroacetico [Italian]
    • CCRIS 2117
    • HSDB 939
    • Acide monochloracetique [French]
    • Chloroacetic acid, molten
    • Monochloroacetic acid [BSI:ISO]
    • Acide chloracetique [ISO-French]
    • Chloroacetic acid (80% or less)
    • chloro-acetic acid
    • EINECS 201-178-4
    • Acetocaustin (TN)
    • EPA Pesticide Chemical Code 279400
    • UNII-5GD84Y125G
    • BRN 0605438
    • CH2ClCOOH
    • DTXSID4020901
    • CHEBI:27869
    • AI3-25035
    • NSC-142
    • 5GD84Y125G
    • CHLOROACETIC-ACID
    • alpha-chloro-acetic acid
    • MFCD00002683
    • DTXCID20901
    • Monochloracetic acidacide monochloracetique
    • Chloroacetic acid, liquid
    • EC 201-178-4
    • 4-02-00-00474 (Beilstein Handbook Reference)
    • CHLOROACETIC ACID CRYSTALLINE
    • Chloroacetic acid, molten [UN3250] [Poison]
    • Chloroacetic acid, solid [UN1751] [Poison]
    • Acide chloracetique (ISO-French)
    • MONOCHLOROACETIC ACID (MART.)
    • MONOCHLOROACETIC ACID [MART.]
    • sJPhLQDIKTp@
    • MCAA
    • UN1750
    • UN1751
    • UN3250
    • Chloressigsauer
    • Chlorethansauere
    • CHLOROACETIC ACID, ACS
    • cloroacetic acid
    • chloro acetic acid
    • Monochloor azijnzuur
    • R3W
    • ClCH2COOH
    • monochloro-acetic acid
    • Acidomono chloroacetico
    • Acide monochloroacetique
    • Chloroacetic acid, 99%
    • Chloroacetic acid, solid [UN1751] [Poison]
    • bmse000367
    • WLN: QV1G
    • Chloroacetic acid, molten [UN3250] [Poison]
    • Chloroacetic acid, >=99%
    • NCIOpen2_002217
    • Chloroacetic acid, ACS grade
    • MLS001065621
    • BIDD:ER0630
    • CHEMBL14090
    • CHLOROACETIC ACID [MI]
    • NSC142
    • CHLOROACETIC ACID [ISO]
    • Chloroacetic acid, solid (dot)
    • CHLOROACETIC ACID [HSDB]
    • FOCAUTSVDIKZOP-UHFFFAOYSA-
    • CHLOROACETIC ACID [VANDF]
    • BCP20585
    • MSK70013
    • NSC42970
    • STR00326
    • Tox21_201114
    • BBL037260
    • LMFA01090068
    • MONOCHLOROACETIC ACID [VANDF]
    • NSC-42970
    • STL197882
    • Chloroacetic acid, analytical standard
    • AKOS000118920
    • MONOCHLOROACETIC ACID [WHO-DD]
    • UN 1751
    • CAS-79-11-8
    • NCGC00091473-01
    • NCGC00091473-02
    • NCGC00091473-03
    • NCGC00258666-01
    • SMR000568484
    • Chloroacetic acid, for synthesis, 99.0%
    • Chloroacetic acid, ACS reagent, >=99.0%
    • Chloroacetic acid, purum, >=97.0% (T)
    • C2123
    • NS00003112
    • Chloroacetic acid, puriss., >=99.0% (T)

  • Applications

    Chloroacetic acid (CAS 79-11-8) is a versatile chemical used primarily as an intermediate in the manufacture of carboxymethyl cellulose (CMC), a thickener and stabilizer employed in foods, cosmetics, and paper products. It is also a building block for phenoxyacetic acid herbicides (such as 2,4-D and MCPA), where it is converted to active agrochemicals. In organic synthesis, it serves as a reactive acylating/alkylating agent to introduce the chloroacetyl group, enabling the preparation of chloroacetyl esters and amides used in pharmaceuticals, agrochemicals, and fragrance chemistry. Additionally, its chloride-reaction functionality makes it a convenient starting material for a range of chloroacetyl derivatives and intermediate materials in specialty polymers and coatings. Its use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 273.94
    methanol 522.13
    isopropanol 209.38
    water 922.81
    ethyl acetate 37.98
    n-propanol 177.83
    acetone 348.7
    n-butanol 107.16
    acetonitrile 145.45
    DMF 1939.77
    toluene 5.92
    isobutanol 120.05
    1,4-dioxane 160.32
    methyl acetate 84.03
    THF 228.09
    2-butanone 114.94
    n-pentanol 82.88
    sec-butanol 111.05
    n-hexane 5.43
    ethylene glycol 412.51
    NMP 694.82
    cyclohexane 5.12
    DMSO 1045.07
    n-butyl acetate 23.9
    n-octanol 27.91
    chloroform 8.0
    n-propyl acetate 40.42
    acetic acid 225.24
    dichloromethane 15.29
    cyclohexanone 89.75
    propylene glycol 256.52
    isopropyl acetate 27.14
    DMAc 1058.29
    2-ethoxyethanol 274.54
    isopentanol 77.9
    n-heptane 5.66
    ethyl formate 79.99
    1,2-dichloroethane 24.13
    n-hexanol 37.48
    2-methoxyethanol 456.72
    isobutyl acetate 23.12
    tetrachloromethane 3.36
    n-pentyl acetate 20.6
    transcutol 247.5
    n-heptanol 25.15
    ethylbenzene 5.72
    MIBK 41.63
    2-propoxyethanol 133.7
    tert-butanol 217.86
    MTBE 59.66
    2-butoxyethanol 78.9
    propionic acid 125.32
    o-xylene 10.91
    formic acid 375.05
    diethyl ether 49.64
    m-xylene 7.93
    p-xylene 9.11
    chlorobenzene 4.55
    dimethyl carbonate 76.15
    n-octane 2.14
    formamide 511.63
    cyclopentanone 142.44
    2-pentanone 70.87
    anisole 32.57
    cyclopentyl methyl ether 61.94
    gamma-butyrolactone 150.69
    1-methoxy-2-propanol 258.17
    pyridine 48.58
    3-pentanone 54.68
    furfural 152.99
    n-dodecane 1.97
    diethylene glycol 214.99
    diisopropyl ether 14.63
    tert-amyl alcohol 120.62
    acetylacetone 80.65
    n-hexadecane 2.07
    acetophenone 42.54
    methyl propionate 66.77
    isopentyl acetate 19.19
    trichloroethylene 20.8
    n-nonanol 25.03
    cyclohexanol 55.17
    benzyl alcohol 44.49
    2-ethylhexanol 18.6
    isooctanol 19.58
    dipropyl ether 32.68
    1,2-dichlorobenzene 6.13
    ethyl lactate 52.32
    propylene carbonate 57.04
    n-methylformamide 594.62
    2-pentanol 58.24
    n-pentane 6.37
    1-propoxy-2-propanol 85.84
    1-methoxy-2-propyl acetate 39.56
    2-(2-methoxypropoxy) propanol 92.93
    mesitylene 8.26
    ε-caprolactone 71.11
    p-cymene 7.5
    epichlorohydrin 104.89
    1,1,1-trichloroethane 10.11
    2-aminoethanol 402.1
    morpholine-4-carbaldehyde 528.26
    sulfolane 244.67
    2,2,4-trimethylpentane 3.35
    2-methyltetrahydrofuran 89.77
    n-hexyl acetate 26.65
    isooctane 2.5
    2-(2-butoxyethoxy)ethanol 112.94
    sec-butyl acetate 21.06
    tert-butyl acetate 31.69
    decalin 3.09
    glycerin 373.81
    diglyme 202.73
    acrylic acid 147.69
    isopropyl myristate 13.84
    n-butyric acid 78.36
    acetyl acetate 23.85
    di(2-ethylhexyl) phthalate 21.76
    ethyl propionate 36.67
    nitromethane 356.54
    1,2-diethoxyethane 53.04
    benzonitrile 25.07
    trioctyl phosphate 16.9
    1-bromopropane 10.64
    gamma-valerolactone 243.87
    n-decanol 19.9
    triethyl phosphate 20.52
    4-methyl-2-pentanol 31.14
    propionitrile 72.34
    vinylene carbonate 54.37
    1,1,2-trichlorotrifluoroethane 124.29
    DMS 32.14
    cumene 7.38
    2-octanol 16.97
    2-hexanone 53.85
    octyl acetate 20.1
    limonene 11.53
    1,2-dimethoxyethane 353.53
    ethyl orthosilicate 19.4
    tributyl phosphate 19.97
    diacetone alcohol 85.03
    N,N-dimethylaniline 47.06
    acrylonitrile 97.99
    aniline 27.21
    1,3-propanediol 271.58
    bromobenzene 2.48
    dibromomethane 8.48
    1,1,2,2-tetrachloroethane 21.22
    2-methyl-cyclohexyl acetate 21.91
    tetrabutyl urea 44.22
    diisobutyl methanol 15.33
    2-phenylethanol 25.66
    styrene 6.08
    dioctyl adipate 28.5
    dimethyl sulfate 141.4
    ethyl butyrate 26.36
    methyl lactate 104.0
    butyl lactate 36.3
    diethyl carbonate 20.34
    propanediol butyl ether 93.08
    triethyl orthoformate 25.67
    p-tert-butyltoluene 8.0
    methyl 4-tert-butylbenzoate 46.34
    morpholine 241.9
    tert-butylamine 95.38
    n-dodecanol 16.39
    dimethoxymethane 345.69
    ethylene carbonate 47.21
    cyrene 121.67
    2-ethoxyethyl acetate 31.81
    2-ethylhexyl acetate 14.37
    1,2,4-trichlorobenzene 8.2
    4-methylpyridine 48.52
    dibutyl ether 20.25
    2,6-dimethyl-4-heptanol 15.33
    DEF 178.45
    dimethyl isosorbide 104.16
    tetrachloroethylene 15.52
    eugenol 58.65
    triacetin 44.11
    span 80 67.49
    1,4-butanediol 167.58
    1,1-dichloroethane 13.74
    2-methyl-1-pentanol 53.25
    methyl formate 352.65
    2-methyl-1-butanol 76.17
    n-decane 2.72
    butyronitrile 54.14
    3,7-dimethyl-1-octanol 21.88
    1-chlorooctane 6.77
    1-chlorotetradecane 3.91
    n-nonane 2.6
    undecane 2.24
    tert-butylcyclohexane 3.21
    cyclooctane 2.45
    cyclopentanol 99.08
    tetrahydropyran 67.89
    tert-amyl methyl ether 47.02
    2,5,8-trioxanonane 163.82
    1-hexene 12.27
    2-isopropoxyethanol 140.43
    2,2,2-trifluoroethanol 158.43
    methyl butyrate 55.87

    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