Trifluoromethanesulfonic acid

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  • Identifiers

    CAS number
    1493-13-6

    Molecular formula
    CHF3O3S

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 87.02%
    Savory 20.87%
    Sulfurous 19.48%
    Cooked 16.41%
    Meaty 13.42%
    Roasted 12.47%
    Pungent 12.25%
    Clean 11.34%
    Bitter 11.12%
    Burnt 10.44%

     

    Flavor
    Bitter 61.2%
    Odorless 40.48%
    Bland 27.64%
    Nitrile 19.49%
    Mild 19.44%
    Yeast 18.63%
    Sweet-like 18.56%
    Taco 18.3%
    Rotten 18.28%
    Mousy 18.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    5.84 (weak acid)

    Molecular weight
    150.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    162°C

    Flash point

    • 43.26 ˚C est.

  • Synonyms

    • Trifluoromethanesulfonic acid
    • 1493-13-6
    • Triflic acid
    • Perfluoromethanesulfonic acid
    • Trifluoromethanesulphonic acid
    • tfmsa
    • Trifluoromethane sulfonic acid
    • TfOH
    • HOTf
    • DTXSID2044397
    • JE2SY203E8
    • Trifluormethansulfonsaeure
    • DTXCID0024397
    • CHEBI:48511
    • 1,1,1-trifluoromethanesulfonic acid
    • AgOTf cpd
    • Cu(OTf)2
    • Eu(OTf)3
    • TFMSA cpd
    • RefChem:191595
    • 216-087-5
    • In(OTf)3
    • METHANESULFONIC ACID, TRIFLUORO-
    • TFMS
    • Trifluoromethylsulfonic acid
    • MFCD00007514
    • Methanesulfonic acid, 1,1,1-trifluoro-
    • CF3SO3H
    • CHF3O3S
    • trifluoromethane-sulfonic acid
    • EINECS 216-087-5
    • triflicacid
    • UNII-JE2SY203E8
    • Trimsylate
    • acide triflique
    • AI3-62912
    • TFS
    • Fluorad FC 24
    • perfluoromethane sulfonate
    • Trifluoromethysulfonic acid
    • SCHEMBL295
    • SCHEMBL890
    • trifluormethanesulfonic acid
    • trifluoromethansulfonic acid
    • TRIFLIC ACID [MI]
    • EC 216-087-5
    • CF3-SO3H
    • trifluormethanesulphonic acid
    • Trifiuoromethanesulfonic acid
    • trifluormethane sulfonic acid
    • trifluoromethyl sulfonic acid
    • trifluoromethyl-sulfonic acid
    • triflouromethanesulphonic acid
    • trifluoro-methanesulfonic acid
    • trifluoromethan sulphonic acid
    • trifluoromethyl sulphonic acid
    • trifluoromethanesulphoriic acid
    • trifluoro-methanesulphonic acid
    • trifluoromethane sulphonic acid
    • acide trifluoromethanesulfonique
    • trifluoro-methane sulfonic acid
    • (trifluoromethyl) sulfonic acid
    • SCHEMBL3950101
    • CHEMBL1236265
    • Trifluoromethanesulfonic acidTFMSA
    • CS-B0871
    • Tox21_302183
    • Trifluoromethanesulphonic acid, 99%
    • SBB086683
    • AKOS007930288
    • FS-3872
    • FT10593
    • NCGC00255973-01
    • CAS-1493-13-6
    • DB-007930
    • DB-030477
    • NS00004757
    • ST51041408
    • T0751
    • EN300-21690
    • F003328
    • Q304850
    • Trifluoromethanesulfonic acid, reagent grade, 98%
    • Trifluoromethanesulfonic acid, purum, >=98.0% (T)
    • Methanesulfonic acid, trifluoro- (6CI,7CI,8CI,9CI)
    • Trifluoromethanesulfonic acid, ReagentPlus(R), >=99%
    • F0001-0530
    • Perfluoromethanesulfonic acid 50 microg/mL in Methanol:Water
    • 1493-13-6

  • Applications

    Trifluoromethanesulfonic acid (CAS 1493-13-6) is a strong, non-nucleophilic Brønsted superacid used as a catalyst and reaction medium in organic synthesis. It enables challenging transformations such as glycosylation and acetalization in carbohydrate chemistry, promotes dehydration and rearrangement reactions, and provides unique selectivity in cationic processes that are difficult with conventional acids. In biomass conversion, it is employed to convert sugars and polyols into value-added platform chemicals, such as furans, under acid-catalyzed conditions. It also serves as a catalyst or activation medium for pharmaceutical intermediate synthesis and other specialty chemical manufacturing, and can facilitate the formation of reactive intermediates in substrate-dependent reactions. Its use is typically in non-aqueous, highly acidic media and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.48
    methanol 330.8
    isopropanol 75.38
    water 226.16
    ethyl acetate 11.57
    n-propanol 65.51
    acetone 69.67
    n-butanol 48.18
    acetonitrile 19.56
    DMF 397.68
    toluene 3.61
    isobutanol 27.67
    1,4-dioxane 31.91
    methyl acetate 16.48
    THF 48.77
    2-butanone 27.54
    n-pentanol 26.57
    sec-butanol 40.71
    n-hexane 2.21
    ethylene glycol 155.71
    NMP 177.32
    cyclohexane 5.49
    DMSO 835.34
    n-butyl acetate 8.25
    n-octanol 23.39
    chloroform 5.09
    n-propyl acetate 6.65
    acetic acid 73.44
    dichloromethane 10.09
    cyclohexanone 22.46
    propylene glycol 79.57
    isopropyl acetate 8.45
    DMAc 198.05
    2-ethoxyethanol 99.38
    isopentanol 27.2
    n-heptane 6.75
    ethyl formate 19.71
    1,2-dichloroethane 12.36
    n-hexanol 20.67
    2-methoxyethanol 222.12
    isobutyl acetate 1.92
    tetrachloromethane 1.62
    n-pentyl acetate 11.5
    transcutol 137.38
    n-heptanol 24.43
    ethylbenzene 2.11
    MIBK 11.52
    2-propoxyethanol 57.17
    tert-butanol 53.82
    MTBE 14.87
    2-butoxyethanol 55.12
    propionic acid 28.38
    o-xylene 5.46
    formic acid 216.33
    diethyl ether 22.75
    m-xylene 3.69
    p-xylene 1.98
    chlorobenzene 1.53
    dimethyl carbonate 16.15
    n-octane 3.16
    formamide 338.35
    cyclopentanone 33.5
    2-pentanone 25.0
    anisole 6.34
    cyclopentyl methyl ether 17.28
    gamma-butyrolactone 32.59
    1-methoxy-2-propanol 134.34
    pyridine 19.97
    3-pentanone 16.74
    furfural 37.21
    n-dodecane 1.88
    diethylene glycol 90.95
    diisopropyl ether 6.2
    tert-amyl alcohol 36.81
    acetylacetone 23.6
    n-hexadecane 1.92
    acetophenone 9.3
    methyl propionate 18.74
    isopentyl acetate 5.03
    trichloroethylene 9.55
    n-nonanol 20.02
    cyclohexanol 25.53
    benzyl alcohol 15.41
    2-ethylhexanol 9.35
    isooctanol 14.31
    dipropyl ether 13.55
    1,2-dichlorobenzene 1.65
    ethyl lactate 13.33
    propylene carbonate 9.7
    n-methylformamide 172.77
    2-pentanol 29.81
    n-pentane 7.03
    1-propoxy-2-propanol 40.16
    1-methoxy-2-propyl acetate 13.89
    2-(2-methoxypropoxy) propanol 35.94
    mesitylene 3.61
    ε-caprolactone 17.28
    p-cymene 3.9
    epichlorohydrin 23.72
    1,1,1-trichloroethane 2.18
    2-aminoethanol 143.17
    morpholine-4-carbaldehyde 126.36
    sulfolane 88.57
    2,2,4-trimethylpentane 1.57
    2-methyltetrahydrofuran 18.62
    n-hexyl acetate 12.58
    isooctane 1.23
    2-(2-butoxyethoxy)ethanol 60.63
    sec-butyl acetate 3.48
    tert-butyl acetate 8.86
    decalin 1.01
    glycerin 131.5
    diglyme 94.41
    acrylic acid 38.13
    isopropyl myristate 5.72
    n-butyric acid 24.93
    acetyl acetate 5.57
    di(2-ethylhexyl) phthalate 5.58
    ethyl propionate 6.21
    nitromethane 100.41
    1,2-diethoxyethane 21.28
    benzonitrile 5.05
    trioctyl phosphate 6.67
    1-bromopropane 6.71
    gamma-valerolactone 54.96
    n-decanol 15.03
    triethyl phosphate 3.97
    4-methyl-2-pentanol 12.74
    propionitrile 11.23
    vinylene carbonate 9.15
    1,1,2-trichlorotrifluoroethane 39.71
    DMS 7.1
    cumene 1.89
    2-octanol 15.38
    2-hexanone 9.61
    octyl acetate 8.55
    limonene 6.69
    1,2-dimethoxyethane 75.26
    ethyl orthosilicate 4.05
    tributyl phosphate 5.06
    diacetone alcohol 31.56
    N,N-dimethylaniline 11.28
    acrylonitrile 19.14
    aniline 12.58
    1,3-propanediol 127.25
    bromobenzene 1.05
    dibromomethane 7.33
    1,1,2,2-tetrachloroethane 10.67
    2-methyl-cyclohexyl acetate 4.14
    tetrabutyl urea 16.21
    diisobutyl methanol 8.37
    2-phenylethanol 11.79
    styrene 2.37
    dioctyl adipate 7.65
    dimethyl sulfate 37.44
    ethyl butyrate 6.75
    methyl lactate 38.09
    butyl lactate 19.04
    diethyl carbonate 3.52
    propanediol butyl ether 61.72
    triethyl orthoformate 5.91
    p-tert-butyltoluene 4.46
    methyl 4-tert-butylbenzoate 21.03
    morpholine 57.27
    tert-butylamine 27.86
    n-dodecanol 11.2
    dimethoxymethane 115.9
    ethylene carbonate 7.36
    cyrene 30.31
    2-ethoxyethyl acetate 14.99
    2-ethylhexyl acetate 3.71
    1,2,4-trichlorobenzene 2.14
    4-methylpyridine 12.57
    dibutyl ether 9.75
    2,6-dimethyl-4-heptanol 8.37
    DEF 57.74
    dimethyl isosorbide 30.43
    tetrachloroethylene 9.97
    eugenol 26.92
    triacetin 12.6
    span 80 30.51
    1,4-butanediol 58.62
    1,1-dichloroethane 4.75
    2-methyl-1-pentanol 14.42
    methyl formate 83.86
    2-methyl-1-butanol 24.73
    n-decane 3.15
    butyronitrile 11.48
    3,7-dimethyl-1-octanol 11.82
    1-chlorooctane 4.93
    1-chlorotetradecane 2.34
    n-nonane 3.28
    undecane 2.37
    tert-butylcyclohexane 0.72
    cyclooctane 3.19
    cyclopentanol 29.17
    tetrahydropyran 17.49
    tert-amyl methyl ether 14.99
    2,5,8-trioxanonane 70.22
    1-hexene 3.98
    2-isopropoxyethanol 40.69
    2,2,2-trifluoroethanol 37.34
    methyl butyrate 10.15

    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