1,1,2-Trichloroethane

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  • Identifiers

    CAS number
    79-00-5

    Molecular formula
    C2H3Cl3

    SMILES
    C(C(Cl)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fishy 42.68%
    Odorless 41.42%
    Cheesy 25.18%
    Sweet 23.87%
    Oily 22.67%
    Ripe 22.45%
    Fresh 19.35%
    Animal 18.54%
    Woody 18.14%
    Citrus 17.75%

     

    Flavor
    Sulfurous 30.42%
    Odorless 29.77%
    Meaty 26.76%
    Sulfury 24.38%
    Fishy 24.2%
    Ammoniacal 23.31%
    Bloody 19.7%
    Glue 19.53%
    Onion 19.35%
    Roasted 18.93%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 0.5 [mmHg]. Odor Threshold High: 167.0 [mmHg]. Odor threshold from "Quick Guide: The Electronic NIOSH Pocket Guide to Chemical Hazards"
    • It is reported to have an odor similar to chloroform, no quantitative data were found concerning odor or warning properties.

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.39 (weak acid)

    Molecular weight
    133.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -35 °F (NTP, 1992)
    • -35 °C
    • -36 °C
    • -34 °F

    Boiling point

    • 235 °F at 760 mmHg (NTP, 1992)
    • 113-114 °C at 760 mm Hg
    • Latent heat of evaporation at BP: 68.7 cal/g
    • In presence of water, hydrolysis occurs at /1,1,2-trichloroehtane's/ boiling point
    • 114 °C
    • 237 °F

    Flash point

    • 37.9 ˚C est.

    Solubility expt.

    • 1 to 5 mg/mL at 68 °F (NTP, 1992)
    • Miscible with alcohol, ethers and many organic liquids
    • In water, 4,590 mg/L at 25 °C
    • ... Soluble in water (4.50 g/L at 20 °C)
    • Solubility in water, g/100ml at 20 °C: 0.45 (very poor)
    • 0.4%

  • Synonyms

    • 1,1,2-TRICHLOROETHANE
    • 79-00-5
    • Ethane, 1,1,2-trichloro-
    • Vinyltrichloride
    • 1,2,2-Trichloroethane
    • beta-Trichloroethane
    • 1,1,2-Trichlorethane
    • Vinyl trichloride
    • Ethane trichloride
    • RCRA waste number U227
    • RCRA waste number U359
    • .beta.-T
    • Caswell No. 875A
    • 1,1, 2-Trichloroethane
    • NCI-C04579
    • Trichloroethane, 1,1,2-
    • CCRIS 602
    • .beta.-Trichloroethane
    • 1,1,2-Trichloraethan
    • NSC 405074
    • HSDB 1412
    • Trojchloroetan(1,1,2)
    • beta-T
    • UNII-28E9ERN9WU
    • EINECS 201-166-9
    • 28E9ERN9WU
    • EPA Pesticide Chemical Code 081203
    • BRN 1731726
    • CHCl2CH2Cl
    • DTXSID5021380
    • NSC-405074
    • DTXCID101380
    • CHEBI:36018
    • EC 201-166-9
    • 4-01-00-00139 (Beilstein Handbook Reference)
    • 1,1,2-TRICHLOROETHANE [MI]
    • 1,1,2-TRICHLOROETHANE [HSDB]
    • 1,1,2-TRICHLOROETHANE [IARC]
    • 1,1,2-TRICHLOROETHANE (IARC)
    • Trojchloroetan(1,1,2) [Polish]
    • RCRA waste no. U227
    • betaT
    • betaTrichloroethane
    • MFCD00000852
    • 1,2-Trichloroethane
    • Beta.-trichloroethane
    • 1,1,2Trichlorethane
    • Trojchloroetan(1,2)
    • 1,2,2Trichloroethane
    • Ethane,1,2-trichloro-
    • Ethane, 1,1,2trichloro
    • WLN: GYG1G
    • 1,1,2-Trichloro-Ethane
    • Trojchloroetan (1,1,2)
    • SCHEMBL16435
    • 1,1,2-tris(chloranyl)ethane
    • Tox21_202465
    • NSC405074
    • AKOS000118752
    • 1,1,2-Trichloroethane (ACGIH:OSHA)
    • CAS-79-00-5
    • NCGC00091216-01
    • NCGC00260014-01
    • 1,1,2-Trichloroethane, analytical standard
    • TROJCHLOROETAN (1,1,2) (POLISH)
    • NS00004799
    • S0640
    • T0381
    • C19536
    • G77200
    • 1,1,2-Trichloroethane 10 microg/mL in Methanol
    • 1,1,2-Trichloroethane 100 microg/mL in Methanol
    • A839550
    • Q161280
    • F0001-2067
    • 1,1,2-Trichloroethane, contains <=3% 2-propanol as stabilizer, 97%
    • 200-756-3
    • 201-166-9

  • Applications

    1,1,2-Trichloroethane (CAS 79-00-5) is primarily used as an industrial solvent for degreasing and cleaning metal parts and precision components; it also serves as a solvent in coatings, paints, varnishes, and printing inks; it is employed as a solvent and processing aid in adhesives and sealants; it is used as a solvent in plastics and polymer processing, helping dissolve or blend resins and additives; it also functions as a chemical intermediate in the synthesis of other chlorinated organic compounds and specialty chemicals. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.6
    methanol 91.65
    isopropanol 72.83
    water 6.37
    ethyl acetate 124.75
    n-propanol 75.46
    acetone 313.68
    n-butanol 81.36
    acetonitrile 183.94
    DMF 449.98
    toluene 131.71
    isobutanol 61.84
    1,4-dioxane 315.17
    methyl acetate 157.12
    THF 356.45
    2-butanone 197.12
    n-pentanol 75.77
    sec-butanol 78.03
    n-hexane 33.21
    ethylene glycol 44.17
    NMP 508.84
    cyclohexane 89.95
    DMSO 495.87
    n-butyl acetate 159.54
    n-octanol 77.78
    chloroform 321.67
    n-propyl acetate 126.12
    acetic acid 180.22
    dichloromethane 311.97
    cyclohexanone 329.6
    propylene glycol 34.13
    isopropyl acetate 93.68
    DMAc 409.62
    2-ethoxyethanol 141.23
    isopentanol 75.44
    n-heptane 71.61
    ethyl formate 104.74
    1,2-dichloroethane 224.08
    n-hexanol 85.75
    2-methoxyethanol 173.91
    isobutyl acetate 89.54
    tetrachloromethane 90.23
    n-pentyl acetate 107.11
    transcutol 460.38
    n-heptanol 62.08
    ethylbenzene 78.67
    MIBK 108.84
    2-propoxyethanol 146.92
    tert-butanol 99.08
    MTBE 117.03
    2-butoxyethanol 106.85
    propionic acid 80.35
    o-xylene 124.81
    formic acid 69.7
    diethyl ether 140.75
    m-xylene 95.81
    p-xylene 118.82
    chlorobenzene 163.88
    dimethyl carbonate 77.9
    n-octane 27.65
    formamide 118.15
    cyclopentanone 322.72
    2-pentanone 165.69
    anisole 155.39
    cyclopentyl methyl ether 199.37
    gamma-butyrolactone 265.82
    1-methoxy-2-propanol 129.01
    pyridine 291.28
    3-pentanone 156.77
    furfural 336.16
    n-dodecane 20.54
    diethylene glycol 133.24
    diisopropyl ether 65.99
    tert-amyl alcohol 90.62
    acetylacetone 223.47
    n-hexadecane 23.19
    acetophenone 190.77
    methyl propionate 114.5
    isopentyl acetate 134.68
    trichloroethylene 419.29
    n-nonanol 72.83
    cyclohexanol 141.77
    benzyl alcohol 119.07
    2-ethylhexanol 90.98
    isooctanol 56.32
    dipropyl ether 154.4
    1,2-dichlorobenzene 164.14
    ethyl lactate 67.63
    propylene carbonate 143.85
    n-methylformamide 153.9
    2-pentanol 71.42
    n-pentane 40.55
    1-propoxy-2-propanol 138.84
    1-methoxy-2-propyl acetate 144.26
    2-(2-methoxypropoxy) propanol 149.41
    mesitylene 74.9
    ε-caprolactone 223.13
    p-cymene 93.0
    epichlorohydrin 270.05
    1,1,1-trichloroethane 213.62
    2-aminoethanol 53.5
    morpholine-4-carbaldehyde 438.63
    sulfolane 368.52
    2,2,4-trimethylpentane 24.73
    2-methyltetrahydrofuran 253.23
    n-hexyl acetate 124.91
    isooctane 17.0
    2-(2-butoxyethoxy)ethanol 177.34
    sec-butyl acetate 90.62
    tert-butyl acetate 112.36
    decalin 38.0
    glycerin 62.23
    diglyme 358.76
    acrylic acid 95.97
    isopropyl myristate 75.07
    n-butyric acid 96.8
    acetyl acetate 107.96
    di(2-ethylhexyl) phthalate 67.69
    ethyl propionate 102.45
    nitromethane 325.76
    1,2-diethoxyethane 220.9
    benzonitrile 167.99
    trioctyl phosphate 53.79
    1-bromopropane 123.18
    gamma-valerolactone 363.77
    n-decanol 60.31
    triethyl phosphate 90.89
    4-methyl-2-pentanol 50.06
    propionitrile 106.06
    vinylene carbonate 149.0
    1,1,2-trichlorotrifluoroethane 244.79
    DMS 116.52
    cumene 62.39
    2-octanol 55.47
    2-hexanone 152.33
    octyl acetate 85.98
    limonene 147.82
    1,2-dimethoxyethane 319.27
    ethyl orthosilicate 91.49
    tributyl phosphate 68.58
    diacetone alcohol 126.58
    N,N-dimethylaniline 157.08
    acrylonitrile 141.01
    aniline 128.4
    1,3-propanediol 72.05
    bromobenzene 161.72
    dibromomethane 223.67
    1,1,2,2-tetrachloroethane 319.82
    2-methyl-cyclohexyl acetate 124.35
    tetrabutyl urea 112.17
    diisobutyl methanol 76.16
    2-phenylethanol 119.59
    styrene 102.62
    dioctyl adipate 108.96
    dimethyl sulfate 143.46
    ethyl butyrate 145.34
    methyl lactate 69.77
    butyl lactate 84.55
    diethyl carbonate 98.23
    propanediol butyl ether 104.29
    triethyl orthoformate 125.22
    p-tert-butyltoluene 90.11
    methyl 4-tert-butylbenzoate 145.32
    morpholine 298.91
    tert-butylamine 71.49
    n-dodecanol 53.98
    dimethoxymethane 206.31
    ethylene carbonate 117.84
    cyrene 160.7
    2-ethoxyethyl acetate 140.16
    2-ethylhexyl acetate 126.9
    1,2,4-trichlorobenzene 206.09
    4-methylpyridine 270.49
    dibutyl ether 128.37
    2,6-dimethyl-4-heptanol 76.16
    DEF 247.75
    dimethyl isosorbide 252.71
    tetrachloroethylene 248.07
    eugenol 141.66
    triacetin 157.19
    span 80 131.56
    1,4-butanediol 47.85
    1,1-dichloroethane 184.22
    2-methyl-1-pentanol 71.44
    methyl formate 137.28
    2-methyl-1-butanol 70.59
    n-decane 32.12
    butyronitrile 110.43
    3,7-dimethyl-1-octanol 84.94
    1-chlorooctane 78.59
    1-chlorotetradecane 42.14
    n-nonane 33.71
    undecane 24.56
    tert-butylcyclohexane 30.61
    cyclooctane 39.05
    cyclopentanol 129.73
    tetrahydropyran 269.75
    tert-amyl methyl ether 118.42
    2,5,8-trioxanonane 277.9
    1-hexene 72.4
    2-isopropoxyethanol 116.97
    2,2,2-trifluoroethanol 91.77
    methyl butyrate 140.28

    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