1,1,1-Trichloro-2,2,2-trifluoroethane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    354-58-5

    Molecular formula
    C2Cl3F3

    SMILES
    C(C(Cl)(Cl)Cl)(F)(F)F

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 52.84%
    Woody 26.38%
    Sweet 25.12%
    Fishy 23.31%
    Balsamic 21.28%
    Cooling 18.71%
    Clean 17.82%
    Dry 17.79%
    Animal 17.09%
    Amber 15.67%

     

    Flavor
    Odorless 32.7%
    Sulfurous 21.3%
    Bland 20.13%
    Mild 18.57%
    Sulfury 18.0%
    Glue 17.86%
    Bloody 17.84%
    Sweet-like 17.65%
    Bouillon 17.57%
    Skunky 17.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    2.92 (strong acid)

    Molecular weight
    187.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 14.37 °C

    Boiling point

    • 45.5 °C
    • BP: 45.8 °C at 101.3 kP

    Flash point

    • -8.77 ˚C est.

    Solubility expt.

    • Soluble in ethanol, chloroform, ethyl ether; insoluble in water

  • Synonyms

    • 1,1,1-Trichlorotrifluoroethane
    • 354-58-5
    • Trichlorotrifluoroethane
    • 1,1,1-TRICHLORO-2,2,2-TRIFLUOROETHANE
    • Freon FT
    • Ethane, 1,1,1-trichloro-2,2,2-trifluoro-
    • CFC-113a
    • Precision cleaning agent
    • CFC 113a
    • FC 113a
    • 1,1,1-Trifluorotrichloroethane
    • CF3CCl3
    • F 113a
    • HSDB 6501
    • T-WD602
    • 1,1,1-Trifluoro-2,2,2-trichloroethane
    • Freon-FT
    • EINECS 206-564-6
    • UNII-07H0R79HO0
    • BRN 1699455
    • DTXSID5027148
    • 07H0R79HO0
    • EINECS 247-758-0
    • FREON 113A
    • FREON-113A
    • DTXCID307148
    • EC 206-564-6
    • 4-01-00-00142 (Beilstein Handbook Reference)
    • R-113A
    • 2,2,2-Trichloro-1,1,1-trifluoro-ethane
    • 1,1,1-TRICHLORO-2,2,2-TRIFLUOROETHANE [HSDB]
    • 1,1,1-Trichlorotrifluoroethane 10 microg/mL in Methanol
    • 1,1,1,-Trichloro-2,2,2-Trifluoroethane
    • 1,1,1-trichloro-2,2,2-trifluoro-ethane
    • SCHEMBL63592
    • 1,1,1trichlorotrifluoroethane
    • 1,1,1Trifluorotrichloroethane
    • TWD602
    • DTXSID501015760
    • Tox21_200079
    • MFCD00000797
    • AKOS015848819
    • 1,1,1-Trichlorotrifluoroethane, 99%
    • FT77818
    • Ethane, 1,1,1trichloro2,2,2trifluoro
    • NCGC00248515-01
    • NCGC00257633-01
    • AS-75494
    • CAS-354-58-5
    • NS00006568
    • T1032
    • E77595
    • Q15927952
    • 247-758-0

  • Applications

    1,1,1-Trichloro-2,2,2-trifluoroethane (CAS 354-58-5) has historical applications as a refrigerant in industrial and commercial cooling systems and is also used as an industrial cleaning and degreasing solvent for equipment, components, and metal surfaces; it is considered an intermediate for the synthesis of fluorinated compounds; in some manufacturing processes for coatings and inks it has been used as a processing or cleaning solvent; in certain plastics/polymer systems it has also served as a blowing agent or processing aid in foam production. Current use is restricted by environmental and safety regulations and depends on local rules and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 271.92
    methanol 413.38
    isopropanol 203.27
    water 67.66
    ethyl acetate 141.41
    n-propanol 177.5
    acetone 345.23
    n-butanol 155.5
    acetonitrile 211.35
    DMF 874.7
    toluene 77.83
    isobutanol 131.02
    1,4-dioxane 231.7
    methyl acetate 154.81
    THF 531.36
    2-butanone 197.68
    n-pentanol 124.2
    sec-butanol 163.52
    n-hexane 62.29
    ethylene glycol 134.43
    NMP 533.06
    cyclohexane 53.05
    DMSO 847.68
    n-butyl acetate 91.83
    n-octanol 90.92
    chloroform 147.12
    n-propyl acetate 130.38
    acetic acid 133.19
    dichloromethane 179.8
    cyclohexanone 171.39
    propylene glycol 104.8
    isopropyl acetate 118.23
    DMAc 578.91
    2-ethoxyethanol 271.44
    isopentanol 124.7
    n-heptane 58.06
    ethyl formate 128.18
    1,2-dichloroethane 143.89
    n-hexanol 109.27
    2-methoxyethanol 431.84
    isobutyl acetate 69.84
    tetrachloromethane 46.25
    n-pentyl acetate 81.0
    transcutol 264.71
    n-heptanol 77.37
    ethylbenzene 63.47
    MIBK 142.85
    2-propoxyethanol 236.83
    tert-butanol 227.86
    MTBE 185.95
    2-butoxyethanol 136.88
    propionic acid 94.47
    o-xylene 83.37
    formic acid 159.91
    diethyl ether 262.61
    m-xylene 79.76
    p-xylene 69.23
    chlorobenzene 39.03
    dimethyl carbonate 142.21
    n-octane 28.39
    formamide 294.76
    cyclopentanone 269.2
    2-pentanone 202.69
    anisole 146.68
    cyclopentyl methyl ether 252.3
    gamma-butyrolactone 254.26
    1-methoxy-2-propanol 351.73
    pyridine 147.99
    3-pentanone 170.54
    furfural 194.14
    n-dodecane 20.12
    diethylene glycol 197.61
    diisopropyl ether 102.27
    tert-amyl alcohol 180.31
    acetylacetone 197.52
    n-hexadecane 20.92
    acetophenone 130.6
    methyl propionate 170.8
    isopentyl acetate 73.11
    trichloroethylene 140.59
    n-nonanol 85.91
    cyclohexanol 123.66
    benzyl alcohol 98.68
    2-ethylhexanol 79.16
    isooctanol 63.44
    dipropyl ether 159.56
    1,2-dichlorobenzene 41.77
    ethyl lactate 108.14
    propylene carbonate 117.03
    n-methylformamide 340.65
    2-pentanol 146.85
    n-pentane 93.81
    1-propoxy-2-propanol 179.33
    1-methoxy-2-propyl acetate 130.67
    2-(2-methoxypropoxy) propanol 134.1
    mesitylene 66.67
    ε-caprolactone 139.24
    p-cymene 56.12
    epichlorohydrin 231.5
    1,1,1-trichloroethane 87.71
    2-aminoethanol 171.63
    morpholine-4-carbaldehyde 401.92
    sulfolane 341.38
    2,2,4-trimethylpentane 34.58
    2-methyltetrahydrofuran 259.25
    n-hexyl acetate 96.6
    isooctane 27.75
    2-(2-butoxyethoxy)ethanol 149.03
    sec-butyl acetate 88.0
    tert-butyl acetate 130.17
    decalin 27.63
    glycerin 147.28
    diglyme 278.78
    acrylic acid 92.0
    isopropyl myristate 62.37
    n-butyric acid 101.65
    acetyl acetate 79.42
    di(2-ethylhexyl) phthalate 46.11
    ethyl propionate 137.47
    nitromethane 312.65
    1,2-diethoxyethane 142.41
    benzonitrile 74.88
    trioctyl phosphate 46.66
    1-bromopropane 141.09
    gamma-valerolactone 277.65
    n-decanol 69.78
    triethyl phosphate 67.73
    4-methyl-2-pentanol 100.35
    propionitrile 149.93
    vinylene carbonate 94.9
    1,1,2-trichlorotrifluoroethane 156.76
    DMS 82.29
    cumene 56.04
    2-octanol 70.49
    2-hexanone 146.12
    octyl acetate 70.65
    limonene 76.68
    1,2-dimethoxyethane 456.91
    ethyl orthosilicate 69.25
    tributyl phosphate 50.57
    diacetone alcohol 175.92
    N,N-dimethylaniline 178.05
    acrylonitrile 162.88
    aniline 98.71
    1,3-propanediol 176.79
    bromobenzene 33.98
    dibromomethane 152.48
    1,1,2,2-tetrachloroethane 136.19
    2-methyl-cyclohexyl acetate 78.67
    tetrabutyl urea 92.26
    diisobutyl methanol 68.39
    2-phenylethanol 84.51
    styrene 63.85
    dioctyl adipate 72.16
    dimethyl sulfate 216.75
    ethyl butyrate 107.23
    methyl lactate 139.31
    butyl lactate 77.73
    diethyl carbonate 72.02
    propanediol butyl ether 108.2
    triethyl orthoformate 88.35
    p-tert-butyltoluene 59.37
    methyl 4-tert-butylbenzoate 114.21
    morpholine 287.18
    tert-butylamine 184.41
    n-dodecanol 58.0
    dimethoxymethane 590.54
    ethylene carbonate 86.01
    cyrene 148.14
    2-ethoxyethyl acetate 91.89
    2-ethylhexyl acetate 63.02
    1,2,4-trichlorobenzene 47.61
    4-methylpyridine 156.65
    dibutyl ether 96.17
    2,6-dimethyl-4-heptanol 68.39
    DEF 286.04
    dimethyl isosorbide 208.99
    tetrachloroethylene 98.28
    eugenol 117.82
    triacetin 89.62
    span 80 95.17
    1,4-butanediol 92.87
    1,1-dichloroethane 120.5
    2-methyl-1-pentanol 96.31
    methyl formate 247.7
    2-methyl-1-butanol 124.49
    n-decane 31.42
    butyronitrile 136.22
    3,7-dimethyl-1-octanol 76.5
    1-chlorooctane 58.36
    1-chlorotetradecane 31.12
    n-nonane 31.94
    undecane 24.43
    tert-butylcyclohexane 28.15
    cyclooctane 31.43
    cyclopentanol 161.46
    tetrahydropyran 197.86
    tert-amyl methyl ether 183.3
    2,5,8-trioxanonane 213.48
    1-hexene 110.24
    2-isopropoxyethanol 178.28
    2,2,2-trifluoroethanol 100.84
    methyl butyrate 162.84

    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