Trifluoroacetic acid

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  • Identifiers

    CAS number
    76-05-1

    Molecular formula
    C2HF3O2

    SMILES
    C(=O)(C(F)(F)F)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Odorless 76.68%
    Sweet 25.7%
    Savory 19.51%
    Bitter 15.97%
    Clean 15.87%
    Cooling 15.34%
    Milky 14.14%
    Dry 12.57%
    Burnt 12.02%
    Buttery 11.97%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    Molecular weight
    114.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -15.4 °C
    • -15 °C

    Boiling point

    • 72.4 °C
    • Enthalpy of vaporization: 33 kJ/mol at boiling point
    • 72 °C

    Flash point est.
    26.65 ˚C

    Solubility expt.

    • Miscible with ether, acetone, ethanol, benzene, carbon tetrachloride, hexane.
    • In water, miscible at 20 °C
    • 1000 mg/mL at 20 °C
    • Solubility in water, g/100ml at 20 °C: 100 (very good)

  • Synonyms

    • Trifluoroacetic acid
    • 76-05-1
    • Perfluoroacetic acid
    • Trifluoroethanoic acid
    • Trifluoracetic acid
    • 2,2,2-trifluoroacetic acid
    • Acetic acid, trifluoro-
    • trifluoroaceticacid
    • TFA
    • trifluoro-acetic acid
    • Kyselina trifluoroctova
    • CF3COOH
    • trifluoro acetic acid
    • MFCD00004169
    • NSC 77366
    • Acetic acid, 2,2,2-trifluoro-
    • Trifluoressigsaeure
    • trifluroacetic acid
    • EINECS 200-929-3
    • triflouroacetic acid
    • UNII-E5R8Z4G708
    • BRN 0742035
    • triflouro acetic acid
    • acide trifluoroacetique
    • DTXSID9041578
    • CHEBI:45892
    • AI3-28549
    • HSDB 7508
    • E5R8Z4G708
    • NSC-77366
    • Acid, Trifluoroacetic
    • Acetic acid-d, trifluoro-
    • 2,2,2-trifluoro-acetic acid
    • EC 200-929-3
    • trifluoracetate
    • 4-02-00-00458 (Beilstein Handbook Reference)
    • Trifluoroacetic acid, biochemical grade
    • TRIFLUOROACETIC ACID (II)
    • TRIFLUOROACETIC ACID [II]
    • Trifluoroacetic acid, ReagentPlus(R), 99%
    • Kyselina trifluoroctova [Czech]
    • UN2699
    • IPC-PFFA-2
    • trifluoraceticacid
    • trifluoroacetyloxy
    • trifluroaceticacid
    • flurtamone TP1
    • Trifluoressigsaure
    • trifloroacetic acid
    • trifluoroactic acid
    • trifiuoroacetic acid
    • trifluoro aceticacid
    • trifluoroacetic aicd
    • trifluoroacetic-acid
    • trifluoroacteic acid
    • tri-fluoroacetic acid
    • tri-fluoro acetic acid
    • trifluoro- acetic acid
    • F3CCOOH
    • WLN: QVXFFF
    • perfluoro-n-ethanoic acid
    • CF3CO2H
    • F3CCO2H
    • SCHEMBL474
    • CF3C(O)OH
    • 2,2,2-trifluoracetic acid
    • NCIOpen2_000728
    • 1,1,1 trifluoroacetic acid
    • 2,2,2-triflouroacetic acid
    • TRIFLUOROETHANONIC ACID
    • perfluoroethane carboxylic acid
    • 2,2,2,-trifluoroacetic acid
    • CHEMBL506259
    • DTXCID7021578
    • TRIFLUOROACETIC ACID [MI]
    • Trifluoroacetic acid, HPLC Grade
    • 1w70
    • JWCIBKMUJOQYBU-UHFFFAOYSA-N
    • QJDBNAANWGIRNU-UHFFFAOYSA-O
    • SNOFKGQEUYMNCE-UHFFFAOYSA-N
    • TRIFLUOROACETIC ACID [HSDB]
    • CS-B0890
    • NSC77366
    • STL264183
    • Trifluoroacetic acid (Peptide Grade)
    • Trifluoroacetic acid, commercial grade
    • AKOS000118999
    • Trifluoroacetic acid (ACD/Name 4.0)
    • Trifluoroacetic acid, p.a., 99.8%
    • SB13471
    • UN 2699
    • Trifluoroacetic acid, analytical standard
    • BP-20560
    • DS-003453
    • A5711
    • NS00008877
    • Q0053
    • T0431
    • Trifluoroacetic acid, for HPLC, >=99.0%
    • Trifluoroacetic acid, peptide synthesis grade
    • Trifluoroacetic acid, Ultrapure for synthesis
    • EN300-19296
    • Trifluoroacetic acid [UN2699] [Corrosive]
    • Trifluoroacetic acid, LC-MS grade (Ampoules)
    • Q412033
    • Trifluoroacetic acid, SAJ special grade, >=99.0%
    • Trifluoroacetic acid, Vetec(TM) reagent grade, 99%
    • Trifluoroacetic acid, >=99.995% Trace metals grade
    • Trifluoroacetic acid, UV HPLC spectroscopic, 99.8%
    • F2190-0649
    • Trifluoroacetic acid, anhydrous, ZerO2(TM), >=99.0%
    • InChI=1/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7
    • Trifluoroacetic acid, puriss. p.a., for HPLC, >=99.0% (GC)
    • Trifluoroacetic acid, for protein sequence analysis, >=99.5% (T)
    • Bruker standard solvent, for MALDI MS, 50% ACN + 47.5% H2O + 2.5% TFA
    • Trifluoroacetic acid, >=99%, purified by redistillation, for protein sequencing
    • 200-929-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.44
    methanol 451.02
    isopropanol 115.53
    water 164.54
    ethyl acetate 16.03
    n-propanol 103.21
    acetone 87.16
    n-butanol 75.81
    acetonitrile 24.21
    DMF 457.59
    toluene 5.33
    isobutanol 46.05
    1,4-dioxane 41.91
    methyl acetate 25.25
    THF 63.24
    2-butanone 40.1
    n-pentanol 42.11
    sec-butanol 65.31
    n-hexane 2.99
    ethylene glycol 184.29
    NMP 194.78
    cyclohexane 5.56
    DMSO 949.89
    n-butyl acetate 10.16
    n-octanol 26.92
    chloroform 6.17
    n-propyl acetate 8.73
    acetic acid 101.25
    dichloromethane 13.74
    cyclohexanone 24.64
    propylene glycol 99.82
    isopropyl acetate 11.22
    DMAc 250.3
    2-ethoxyethanol 141.35
    isopentanol 48.91
    n-heptane 7.28
    ethyl formate 26.3
    1,2-dichloroethane 17.74
    n-hexanol 28.96
    2-methoxyethanol 301.83
    isobutyl acetate 2.32
    tetrachloromethane 1.99
    n-pentyl acetate 14.37
    transcutol 172.58
    n-heptanol 32.01
    ethylbenzene 3.18
    MIBK 15.7
    2-propoxyethanol 71.49
    tert-butanol 92.85
    MTBE 28.92
    2-butoxyethanol 67.84
    propionic acid 39.27
    o-xylene 8.15
    formic acid 252.83
    diethyl ether 35.66
    m-xylene 5.44
    p-xylene 2.85
    chlorobenzene 1.88
    dimethyl carbonate 20.68
    n-octane 3.54
    formamide 394.01
    cyclopentanone 34.64
    2-pentanone 33.46
    anisole 9.4
    cyclopentyl methyl ether 24.3
    gamma-butyrolactone 35.78
    1-methoxy-2-propanol 174.34
    pyridine 25.22
    3-pentanone 22.31
    furfural 42.73
    n-dodecane 2.13
    diethylene glycol 110.22
    diisopropyl ether 9.39
    tert-amyl alcohol 70.53
    acetylacetone 28.24
    n-hexadecane 2.19
    acetophenone 11.46
    methyl propionate 26.42
    isopentyl acetate 6.7
    trichloroethylene 12.9
    n-nonanol 23.69
    cyclohexanol 33.8
    benzyl alcohol 19.45
    2-ethylhexanol 12.58
    isooctanol 20.06
    dipropyl ether 16.46
    1,2-dichlorobenzene 2.18
    ethyl lactate 15.05
    propylene carbonate 10.49
    n-methylformamide 213.39
    2-pentanol 47.93
    n-pentane 9.08
    1-propoxy-2-propanol 46.33
    1-methoxy-2-propyl acetate 17.22
    2-(2-methoxypropoxy) propanol 45.93
    mesitylene 4.91
    ε-caprolactone 21.85
    p-cymene 5.23
    epichlorohydrin 34.73
    1,1,1-trichloroethane 3.17
    2-aminoethanol 185.06
    morpholine-4-carbaldehyde 142.37
    sulfolane 95.8
    2,2,4-trimethylpentane 2.72
    2-methyltetrahydrofuran 32.05
    n-hexyl acetate 15.8
    isooctane 1.97
    2-(2-butoxyethoxy)ethanol 77.49
    sec-butyl acetate 4.63
    tert-butyl acetate 12.96
    decalin 1.39
    glycerin 145.53
    diglyme 114.86
    acrylic acid 47.09
    isopropyl myristate 6.9
    n-butyric acid 34.81
    acetyl acetate 6.63
    di(2-ethylhexyl) phthalate 7.43
    ethyl propionate 8.2
    nitromethane 126.1
    1,2-diethoxyethane 27.89
    benzonitrile 5.8
    trioctyl phosphate 8.6
    1-bromopropane 9.86
    gamma-valerolactone 61.78
    n-decanol 18.36
    triethyl phosphate 4.73
    4-methyl-2-pentanol 21.34
    propionitrile 14.96
    vinylene carbonate 10.1
    1,1,2-trichlorotrifluoroethane 48.45
    DMS 8.66
    cumene 2.91
    2-octanol 20.04
    2-hexanone 12.41
    octyl acetate 10.76
    limonene 8.55
    1,2-dimethoxyethane 101.92
    ethyl orthosilicate 5.02
    tributyl phosphate 6.47
    diacetone alcohol 46.83
    N,N-dimethylaniline 16.12
    acrylonitrile 23.44
    aniline 16.29
    1,3-propanediol 174.33
    bromobenzene 1.39
    dibromomethane 9.76
    1,1,2,2-tetrachloroethane 13.42
    2-methyl-cyclohexyl acetate 4.91
    tetrabutyl urea 18.61
    diisobutyl methanol 11.23
    2-phenylethanol 15.19
    styrene 3.32
    dioctyl adipate 9.44
    dimethyl sulfate 45.5
    ethyl butyrate 8.15
    methyl lactate 45.12
    butyl lactate 20.77
    diethyl carbonate 4.29
    propanediol butyl ether 68.82
    triethyl orthoformate 7.06
    p-tert-butyltoluene 5.78
    methyl 4-tert-butylbenzoate 26.36
    morpholine 80.83
    tert-butylamine 47.25
    n-dodecanol 13.65
    dimethoxymethane 141.82
    ethylene carbonate 7.95
    cyrene 33.18
    2-ethoxyethyl acetate 20.86
    2-ethylhexyl acetate 4.64
    1,2,4-trichlorobenzene 2.94
    4-methylpyridine 17.98
    dibutyl ether 12.25
    2,6-dimethyl-4-heptanol 11.23
    DEF 78.22
    dimethyl isosorbide 37.06
    tetrachloroethylene 12.83
    eugenol 30.59
    triacetin 14.85
    span 80 35.38
    1,4-butanediol 79.17
    1,1-dichloroethane 6.86
    2-methyl-1-pentanol 25.82
    methyl formate 105.86
    2-methyl-1-butanol 43.74
    n-decane 3.48
    butyronitrile 15.22
    3,7-dimethyl-1-octanol 15.86
    1-chlorooctane 6.23
    1-chlorotetradecane 2.9
    n-nonane 3.61
    undecane 2.69
    tert-butylcyclohexane 1.12
    cyclooctane 3.34
    cyclopentanol 39.23
    tetrahydropyran 24.62
    tert-amyl methyl ether 29.35
    2,5,8-trioxanonane 86.14
    1-hexene 6.35
    2-isopropoxyethanol 59.52
    2,2,2-trifluoroethanol 43.22
    methyl butyrate 12.52

    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