Trichloroacetic Acid

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  • Identifiers

    CAS number
    76-03-9

    Molecular formula
    C2HCl3O2

    SMILES
    C(=O)(C(Cl)(Cl)Cl)O

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Odorless 67.88%
    Sweet 33.27%
    Milky 17.78%
    Clean 17.48%
    Savory 17.36%
    Creamy 16.22%
    Dry 16.09%
    Bitter 15.97%
    Buttery 15.46%
    Balsamic 15.13%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.24 [mmHg]. Odor Threshold High: 0.37 [mmHg]. Recognition odor threshold from CHEMINFO

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    163.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 135 to 136 °F (NTP, 1992)
    • 57.5 °C
    • MP: >300 °C. Soluble in ethanol. /Sodium salt/
    • 58 °C
    • 136 °F

    Boiling point

    • 385 to 387 °F at 760 mmHg (NTP, 1992)
    • 195.5 °C
    • 198 °C
    • 388 °F

    Flash point est.
    79.37 ˚C

    Flash point expt.

    • greater than 230 °F (NTP, 1992)

    Solubility expt.

    • greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
    • The acid has a solubility in water at 25 °C of 1,000 g/100 ml; it is soluble in ethanol and diethyl ether.
    • Sol in 0.1 part water; very sol in alcohol, ether
    • Sol in ethanol, ethyl ether; slightly sol in carbon tetrachloride
    • In methanol = 2143 g/100g at 25 °C; in ethyl ether = 617 g/100g at 25 °C; in acetone = 850 g/100g at 25 °C; in benzene = 201 g/100g at 25 °C; in o-xylene = 110 g/100g at 25 °C.
    • In water, 5.4X10+4 mg/L at 25 °C
    • 44 mg/mL at 25 °C
    • Solubility in water: very good
    • Miscible

  • Synonyms

    • TRICHLOROACETIC ACID
    • 76-03-9
    • Acetic acid, trichloro-
    • Trichloroethanoic acid
    • Aceto-caustin
    • Trichloracetic acid
    • Konesta
    • Trichloressigsaeure
    • Acide trichloracetique
    • Acido tricloroacetico
    • Amchem grass killer
    • Trichloroacetate
    • Trichloorazijnzuur
    • TCA
    • 2,2,2-trichloroacetic acid
    • Kyselina trichloroctova
    • Acetic acid, trichloro- (solid)
    • CCl3COOH
    • Trichloorazijnzuur [Dutch]
    • TKhU
    • Trichloressigsaeure [German]
    • MFCD00004177
    • TKhUK
    • NSC 215204
    • NSC-215204
    • 5V2JDO056X
    • Acide trichloracetique [French]
    • Acido tricloroacetico [Italian]
    • DTXSID1021378
    • CHEBI:30956
    • DTXCID001378
    • Acetic acid, 2,2,2-trichloro-
    • 2,2,2-Trichloro-Acetic acid
    • NCGC00091021-02
    • WLN: QVXGGG
    • Tecane
    • Trichloroacetic acid solid
    • Trichloorazijnzuur (DUTCH)
    • Acetic-1-13C acid, 2,2,2-trichloro- (9CI)
    • Trichloressigsaeure (GERMAN)
    • Acide trichloracetique (FRENCH)
    • Acido tricloroacetico (ITALIAN)
    • Caswell No. 870
    • TRICHLOROACETIC ACID (MART.)
    • TRICHLOROACETIC ACID [MART.]
    • CAS-76-03-9
    • SMR000059159
    • TRICHLOROACETIC ACID (EP IMPURITY)
    • TRICHLOROACETIC ACID [EP IMPURITY]
    • TRICHLOROACETIC ACID (EP MONOGRAPH)
    • Trichloroacetic acid (IUPAC)
    • TRICHLOROACETIC ACID [EP MONOGRAPH]
    • Trichloromethanecarboxylic acid
    • TCAA
    • trichloro acetic acid
    • CCRIS 4015
    • Acid, Trichloroacetic
    • Kyselina trichloroctova [Czech]
    • HSDB 1779
    • trichloracetique, Acide
    • Trichloroacetic acid; 2,2,2-Trichloroacetic acid
    • EINECS 200-927-2
    • UN1839
    • UN2564
    • TCA [BSI:ISO]
    • EPA Pesticide Chemical Code 081002
    • Trichloroacetic acid [USP]
    • BRN 0970119
    • UNII-5V2JDO056X
    • AI3-24157
    • Trichloressigsaure
    • Tricloroacetic acid
    • perchloroacetic acid
    • trichloroacetic-acid
    • Trichloroaectic Acid
    • trichloro-acetic acid
    • Varitox (Salt/Mix)
    • CCl3CO2H
    • NA TA (Salt/Mix)
    • NA TA
    • Trichloroacetic Acid 5%
    • TCA [ISO]
    • Deblk; Aceto-caustin; Tca
    • EC 200-927-2
    • Acido tricloroacetico (TN)
    • SCHEMBL3220
    • NCIOpen2_000772
    • 4-02-00-00508 (Beilstein Handbook Reference)
    • MLS001066365
    • MLS001336033
    • MLS001336034
    • UN 2564 (Salt/Mix)
    • CHEMBL14053
    • DOW SODIUM TCA STABILIZED
    • TRICHLOROACETIC ACID [MI]
    • Trichloroacetic acid solid (DOT)
    • Trichloroacetic acid, >=99.5%
    • Trichloroacetic acid, ACS reagent
    • HMS2233M06
    • HMS3374M09
    • TRICHLOROACETIC ACID [HSDB]
    • NSC77363
    • QGA39956
    • STR02719
    • Tox21_111060
    • Tox21_201632
    • Tox21_300187
    • TRICHLOROACETIC ACID [VANDF]
    • NSC-77363
    • NSC215204
    • STL163550
    • TRICHLOROACETIC ACID [WHO-DD]
    • TRICHLOROACETIC ACID, (SOLID)
    • AKOS000118939
    • Trichloroacetic acid (ACD/Name 4.0)
    • FT33532
    • MSK22549-1000Q
    • UN 1839
    • USEPA/OPP Pesticide Code: 081002
    • NCGC00091021-01
    • NCGC00091021-03
    • NCGC00091021-04
    • NCGC00254060-01
    • NCGC00259181-01
    • NCI60_006100
    • Trichloroacetic acid, reagent grade, 98%
    • Trichloroacetic acid, BioXtra, >=99.0%
    • NS00009969

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 246.31
    methanol 337.38
    isopropanol 211.46
    water 31.58
    ethyl acetate 48.92
    n-propanol 181.97
    acetone 220.82
    n-butanol 162.24
    acetonitrile 46.27
    DMF 926.42
    toluene 12.44
    isobutanol 123.98
    1,4-dioxane 123.74
    methyl acetate 67.63
    THF 401.85
    2-butanone 130.67
    n-pentanol 114.03
    sec-butanol 170.34
    n-hexane 13.17
    ethylene glycol 127.23
    NMP 494.39
    cyclohexane 12.09
    DMSO 813.75
    n-butyl acetate 41.41
    n-octanol 52.62
    chloroform 15.99
    n-propyl acetate 46.41
    acetic acid 84.32
    dichloromethane 24.31
    cyclohexanone 91.84
    propylene glycol 111.53
    isopropyl acetate 48.13
    DMAc 654.19
    2-ethoxyethanol 267.52
    isopentanol 126.89
    n-heptane 18.13
    ethyl formate 64.69
    1,2-dichloroethane 33.27
    n-hexanol 73.35
    2-methoxyethanol 426.18
    isobutyl acetate 22.2
    tetrachloromethane 5.23
    n-pentyl acetate 42.37
    transcutol 202.01
    n-heptanol 57.68
    ethylbenzene 10.72
    MIBK 80.68
    2-propoxyethanol 170.28
    tert-butanol 260.68
    MTBE 139.37
    2-butoxyethanol 112.69
    propionic acid 58.52
    o-xylene 18.39
    formic acid 119.51
    diethyl ether 115.26
    m-xylene 15.28
    p-xylene 12.25
    chlorobenzene 5.77
    dimethyl carbonate 58.81
    n-octane 8.36
    formamide 212.48
    cyclopentanone 178.12
    2-pentanone 129.15
    anisole 44.38
    cyclopentyl methyl ether 132.5
    gamma-butyrolactone 141.72
    1-methoxy-2-propanol 340.43
    pyridine 56.55
    3-pentanone 78.48
    furfural 111.79
    n-dodecane 5.1
    diethylene glycol 156.95
    diisopropyl ether 40.46
    tert-amyl alcohol 218.19
    acetylacetone 98.88
    n-hexadecane 5.28
    acetophenone 46.75
    methyl propionate 77.43
    isopentyl acetate 35.4
    trichloroethylene 30.23
    n-nonanol 48.26
    cyclohexanol 87.67
    benzyl alcohol 49.18
    2-ethylhexanol 40.19
    isooctanol 44.27
    dipropyl ether 68.34
    1,2-dichlorobenzene 6.33
    ethyl lactate 52.7
    propylene carbonate 52.58
    n-methylformamide 275.52
    2-pentanol 129.88
    n-pentane 24.72
    1-propoxy-2-propanol 132.93
    1-methoxy-2-propyl acetate 69.34
    2-(2-methoxypropoxy) propanol 101.63
    mesitylene 15.0
    ε-caprolactone 73.5
    p-cymene 15.3
    epichlorohydrin 134.38
    1,1,1-trichloroethane 13.74
    2-aminoethanol 175.56
    morpholine-4-carbaldehyde 327.49
    sulfolane 287.01
    2,2,4-trimethylpentane 10.99
    2-methyltetrahydrofuran 173.38
    n-hexyl acetate 45.06
    isooctane 7.77
    2-(2-butoxyethoxy)ethanol 123.16
    sec-butyl acetate 31.69
    tert-butyl acetate 68.26
    decalin 5.05
    glycerin 164.18
    diglyme 218.23
    acrylic acid 50.71
    isopropyl myristate 26.99
    n-butyric acid 70.44
    acetyl acetate 19.91
    di(2-ethylhexyl) phthalate 25.6
    ethyl propionate 45.39
    nitromethane 152.66
    1,2-diethoxyethane 81.06
    benzonitrile 17.8
    trioctyl phosphate 24.98
    1-bromopropane 30.65
    gamma-valerolactone 200.52
    n-decanol 38.2
    triethyl phosphate 23.9
    4-methyl-2-pentanol 71.35
    propionitrile 43.91
    vinylene carbonate 33.66
    1,1,2-trichlorotrifluoroethane 102.66
    DMS 26.49
    cumene 11.24
    2-octanol 47.25
    2-hexanone 74.38
    octyl acetate 34.87
    limonene 27.4
    1,2-dimethoxyethane 342.85
    ethyl orthosilicate 25.63
    tributyl phosphate 23.75
    diacetone alcohol 152.71
    N,N-dimethylaniline 66.33
    acrylonitrile 48.86
    aniline 35.35
    1,3-propanediol 194.85
    bromobenzene 4.03
    dibromomethane 18.98
    1,1,2,2-tetrachloroethane 34.73
    2-methyl-cyclohexyl acetate 33.05
    tetrabutyl urea 55.95
    diisobutyl methanol 35.9
    2-phenylethanol 38.91
    styrene 10.64
    dioctyl adipate 36.97
    dimethyl sulfate 117.03
    ethyl butyrate 42.51
    methyl lactate 95.29
    butyl lactate 48.66
    diethyl carbonate 22.66
    propanediol butyl ether 92.01
    triethyl orthoformate 37.25
    p-tert-butyltoluene 18.75
    methyl 4-tert-butylbenzoate 71.45
    morpholine 219.39
    tert-butylamine 148.72
    n-dodecanol 30.17
    dimethoxymethane 369.62
    ethylene carbonate 29.18
    cyrene 111.58
    2-ethoxyethyl acetate 50.77
    2-ethylhexyl acetate 26.09
    1,2,4-trichlorobenzene 9.18
    4-methylpyridine 57.04
    dibutyl ether 41.14
    2,6-dimethyl-4-heptanol 35.9
    DEF 216.45
    dimethyl isosorbide 138.08
    tetrachloroethylene 23.06
    eugenol 73.09
    triacetin 44.49
    span 80 70.96
    1,4-butanediol 103.85
    1,1-dichloroethane 21.19
    2-methyl-1-pentanol 78.81
    methyl formate 170.03
    2-methyl-1-butanol 122.14
    n-decane 8.14
    butyronitrile 52.64
    3,7-dimethyl-1-octanol 43.51
    1-chlorooctane 16.44
    1-chlorotetradecane 8.45
    n-nonane 8.28
    undecane 6.29
    tert-butylcyclohexane 6.07
    cyclooctane 7.04
    cyclopentanol 139.06
    tetrahydropyran 97.73
    tert-amyl methyl ether 127.82
    2,5,8-trioxanonane 170.84
    1-hexene 28.37
    2-isopropoxyethanol 155.96
    2,2,2-trifluoroethanol 49.68
    methyl butyrate 68.93

    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