1,1-Dichloro-1,2,2-trifluoroethane

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  • Identifiers

    CAS number
    812-04-4

    Molecular formula
    C2HCl2F3

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

  • Odor profile

    Fragrance
    Odorless 56.92%
    Fishy 29.36%
    Sweet 23.98%
    Woody 21.76%
    Cooling 20.62%
    Balsamic 18.13%
    Animal 17.69%
    Clean 15.98%
    Oily 15.69%
    Savory 15.58%

     

    Flavor
    Odorless 34.0%
    Sulfurous 24.52%
    Sulfury 20.37%
    Mild 19.55%
    Bland 19.45%
    Bloody 18.52%
    Meaty 18.49%
    Glue 18.46%
    Bouillon 18.03%
    Skunky 17.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    2.97 (strong acid)

    Molecular weight
    152.93 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 30.2 °C

    Flash point

    • 2.75 ˚C est.

  • Synonyms

    • 1,1-Dichloro-1,2,2-trifluoroethane
    • 812-04-4
    • HCFC-123B
    • HSDB 6873
    • UNII-6NR3OZL5ZZ
    • 6NR3OZL5ZZ
    • HCFC-123B [HSDB]
    • DTXSID6042022
    • R-123B
    • 1,1-DICHLORO-1,2,2-TRIFLUORO-
    • Hcfc123b
    • Ethane, 1,1-dichloro-1,2,2-trifluoro-
    • 1,1-DICHLORO-1,2,2-TRIFLUORO-ETHANE
    • SCHEMBL166827
    • DTXCID4022022
    • Ethane, 1,1dichloro1,2,2trifluoro
    • AKOS006276137
    • NS00120057
    • Q27265203

  • Applications

    1,1-Dichloro-1,2,2-trifluoroethane (CAS 812-04-4) is primarily used as an intermediate in the preparation of fluorinated specialty chemicals and polymers, providing a reactive platform for downstream transformations. It serves as an industrial solvent and degreasing agent in metalworking, electronics manufacturing, and equipment cleaning, and as a processing solvent in coatings, inks, and adhesives formulations. It can function as a feedstock or reagent in the production of fluorinated polymers and related materials. Its use is governed by local regulations, formulation limits, and safety considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 363.77
    methanol 644.97
    isopropanol 244.9
    water 200.48
    ethyl acetate 154.4
    n-propanol 228.25
    acetone 541.07
    n-butanol 183.02
    acetonitrile 369.2
    DMF 1343.43
    toluene 58.14
    isobutanol 155.17
    1,4-dioxane 296.05
    methyl acetate 221.86
    THF 450.2
    2-butanone 279.99
    n-pentanol 151.16
    sec-butanol 188.11
    n-hexane 27.84
    ethylene glycol 243.94
    NMP 779.6
    cyclohexane 47.03
    DMSO 1551.51
    n-butyl acetate 86.9
    n-octanol 81.2
    chloroform 123.18
    n-propyl acetate 133.99
    acetic acid 280.0
    dichloromethane 197.69
    cyclohexanone 227.83
    propylene glycol 138.09
    isopropyl acetate 99.63
    DMAc 979.2
    2-ethoxyethanol 426.11
    isopentanol 142.36
    n-heptane 46.78
    ethyl formate 170.9
    1,2-dichloroethane 177.19
    n-hexanol 92.82
    2-methoxyethanol 614.32
    isobutyl acetate 63.56
    tetrachloromethane 28.99
    n-pentyl acetate 67.18
    transcutol 502.12
    n-heptanol 63.66
    ethylbenzene 43.88
    MIBK 126.59
    2-propoxyethanol 233.06
    tert-butanol 236.69
    MTBE 183.15
    2-butoxyethanol 140.9
    propionic acid 127.57
    o-xylene 72.45
    formic acid 385.9
    diethyl ether 227.11
    m-xylene 53.16
    p-xylene 51.64
    chlorobenzene 36.46
    dimethyl carbonate 144.52
    n-octane 18.68
    formamide 685.05
    cyclopentanone 289.35
    2-pentanone 221.77
    anisole 141.83
    cyclopentyl methyl ether 205.48
    gamma-butyrolactone 279.1
    1-methoxy-2-propanol 385.08
    pyridine 215.96
    3-pentanone 189.67
    furfural 296.02
    n-dodecane 12.42
    diethylene glycol 255.04
    diisopropyl ether 70.41
    tert-amyl alcohol 202.78
    acetylacetone 243.4
    n-hexadecane 13.22
    acetophenone 161.11
    methyl propionate 187.81
    isopentyl acetate 63.93
    trichloroethylene 176.7
    n-nonanol 74.64
    cyclohexanol 144.92
    benzyl alcohol 132.67
    2-ethylhexanol 66.04
    isooctanol 51.58
    dipropyl ether 140.07
    1,2-dichlorobenzene 38.5
    ethyl lactate 112.86
    propylene carbonate 114.88
    n-methylformamide 593.8
    2-pentanol 140.13
    n-pentane 52.61
    1-propoxy-2-propanol 169.62
    1-methoxy-2-propyl acetate 115.46
    2-(2-methoxypropoxy) propanol 178.72
    mesitylene 43.53
    ε-caprolactone 172.92
    p-cymene 47.37
    epichlorohydrin 280.36
    1,1,1-trichloroethane 72.69
    2-aminoethanol 264.28
    morpholine-4-carbaldehyde 650.12
    sulfolane 430.97
    2,2,4-trimethylpentane 21.15
    2-methyltetrahydrofuran 258.3
    n-hexyl acetate 84.1
    isooctane 13.75
    2-(2-butoxyethoxy)ethanol 198.52
    sec-butyl acetate 77.53
    tert-butyl acetate 100.94
    decalin 17.78
    glycerin 212.37
    diglyme 411.14
    acrylic acid 148.66
    isopropyl myristate 50.44
    n-butyric acid 121.25
    acetyl acetate 95.62
    di(2-ethylhexyl) phthalate 47.36
    ethyl propionate 123.54
    nitromethane 644.58
    1,2-diethoxyethane 172.33
    benzonitrile 99.65
    trioctyl phosphate 39.17
    1-bromopropane 112.58
    gamma-valerolactone 376.85
    n-decanol 59.76
    triethyl phosphate 65.54
    4-methyl-2-pentanol 78.38
    propionitrile 197.77
    vinylene carbonate 107.06
    1,1,2-trichlorotrifluoroethane 217.64
    DMS 83.92
    cumene 39.0
    2-octanol 53.23
    2-hexanone 157.01
    octyl acetate 63.73
    limonene 73.33
    1,2-dimethoxyethane 635.01
    ethyl orthosilicate 64.05
    tributyl phosphate 44.63
    diacetone alcohol 173.09
    N,N-dimethylaniline 183.46
    acrylonitrile 243.77
    aniline 106.16
    1,3-propanediol 255.14
    bromobenzene 29.7
    dibromomethane 137.13
    1,1,2,2-tetrachloroethane 150.67
    2-methyl-cyclohexyl acetate 73.06
    tetrabutyl urea 101.34
    diisobutyl methanol 54.66
    2-phenylethanol 84.06
    styrene 50.43
    dioctyl adipate 78.47
    dimethyl sulfate 251.18
    ethyl butyrate 106.53
    methyl lactate 160.94
    butyl lactate 70.64
    diethyl carbonate 72.16
    propanediol butyl ether 127.11
    triethyl orthoformate 88.28
    p-tert-butyltoluene 46.29
    methyl 4-tert-butylbenzoate 120.86
    morpholine 400.85
    tert-butylamine 164.14
    n-dodecanol 48.73
    dimethoxymethane 565.76
    ethylene carbonate 89.4
    cyrene 209.8
    2-ethoxyethyl acetate 91.33
    2-ethylhexyl acetate 52.8
    1,2,4-trichlorobenzene 49.96
    4-methylpyridine 195.42
    dibutyl ether 90.35
    2,6-dimethyl-4-heptanol 54.66
    DEF 395.68
    dimethyl isosorbide 239.99
    tetrachloroethylene 109.67
    eugenol 129.82
    triacetin 113.42
    span 80 104.89
    1,4-butanediol 150.41
    1,1-dichloroethane 109.49
    2-methyl-1-pentanol 110.1
    methyl formate 400.73
    2-methyl-1-butanol 144.0
    n-decane 20.12
    butyronitrile 165.41
    3,7-dimethyl-1-octanol 70.43
    1-chlorooctane 44.47
    1-chlorotetradecane 22.39
    n-nonane 20.76
    undecane 15.08
    tert-butylcyclohexane 15.41
    cyclooctane 23.64
    cyclopentanol 167.69
    tetrahydropyran 211.75
    tert-amyl methyl ether 172.72
    2,5,8-trioxanonane 320.02
    1-hexene 63.97
    2-isopropoxyethanol 243.43
    2,2,2-trifluoroethanol 183.39
    methyl butyrate 170.91

    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