Hexachloroethane

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  • Identifiers

    CAS number
    67-72-1

    Molecular formula
    C2Cl6

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 42.56%
    Woody 34.63%
    Sweet 29.1%
    Balsamic 26.14%
    Floral 22.39%
    Dry 21.43%
    Waxy 20.4%
    Clean 20.32%
    Amber 18.86%
    Fishy 18.6%

     

    Flavor
    Odorless 32.17%
    Sulfurous 20.16%
    Bland 19.43%
    Mild 18.09%
    Glue 17.86%
    Bloody 17.77%
    Sweet-like 17.6%
    Bouillon 17.46%
    Skunky 17.44%
    Rotten 17.21%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 0.15 [mmHg]. Odor threshold from CHEMIINFO
    • Odor detection in water: 1x10-2 mg/l
    • It has a camphor-like odor.

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    2.89 (strong acid)

    Molecular weight
    236.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • Sublimes (NTP, 1992)
    • Sublimes
    • 368.2 °F (sublimes)
    • 368 °F (Sublimes)

    Boiling point

    • 368.2 °F at 760 mmHg (Sublimes) (NTP, 1992)
    • Sublimes
    • 368.2 °F (sublimes)

    Flash point

    • 53.95 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Soluble in alcohol, benzene, chloroform, ether, oils
    • Very sol in ether and tetrachloroethylene
    • In water, 50 mg/L at 20 °C
    • Solubility in water: none
    • (72 °F): 0.005%

  • Synonyms

    • HEXACHLOROETHANE
    • 67-72-1
    • Perchloroethane
    • Ethane, hexachloro-
    • 1,1,1,2,2,2-Hexachloroethane
    • Avlothane
    • Fasciolin
    • Carbon hexachloride
    • Hexachlorethane
    • Mottenhexe
    • Distokal
    • Distopan
    • Distopin
    • Falkitol
    • Phenohep
    • Egitol
    • Ethylene hexachloride
    • C2Cl6
    • Hexachloroethylene
    • Ethane hexachloride
    • Hexachlor-aethan
    • Fron 110
    • Hexachlorethan
    • Caswell No. 479
    • Rcra waste number U131
    • NCI-C04604
    • NSC 9224
    • CCRIS 330
    • hexachloroethan
    • Hexachloraethan
    • HSDB 2033
    • UNII-G30K3QQT4J
    • EINECS 200-666-4
    • G30K3QQT4J
    • EPA Pesticide Chemical Code 045201
    • Ethane, 1,1,1,2,2,2-hexachloro-
    • BRN 1740341
    • DTXSID7020689
    • CCl3CCl3
    • CHEBI:39227
    • AI3-00633
    • NSC-9224
    • 1,1,1,2,2,2-Hexachloro-ethane
    • hexachloroethane (1-13c)
    • HEXACHLOROETHANE [MI]
    • DTXCID90689
    • HEXACHLOROETHANE [HSDB]
    • HEXACHLOROETHANE [IARC]
    • HEXACHLOROETHANE [MART.]
    • NSC9224
    • 4-01-00-00148 (Beilstein Handbook Reference)
    • NA 9037
    • R-110
    • HEXACHLOROETHANE (IARC)
    • HEXACHLOROETHANE (MART.)
    • Hexachlor-aethan [German]
    • RCRA waste no. U131
    • hexachoroethane
    • hexachloro ethane
    • Ethane, hexachloro
    • MFCD00000799
    • AVLOTANE
    • Cl3CCCl3
    • WLN: GXGGXGGG
    • Hexachloroethane, 99%
    • SCHEMBL23458
    • CHEMBL160929
    • 1,1,2,2,2-Hexachloroethane
    • Hexachloroethane (ACGIH:OSHA)
    • 1,1,1,2,2,2Hexachloroethane
    • Tox21_200724
    • STL199166
    • AKOS009158985
    • CAS-67-72-1
    • NCGC00091377-01
    • NCGC00091377-02
    • NCGC00258278-01
    • 1,1,1,2,2,2-hexakis(chloranyl)ethane
    • Hexachloroethane 100 microg/mL in Methanol
    • Hexachloroethane, technical, >=95% (AT)
    • H0060
    • NS00008134
    • EN300-57105
    • C19248
    • A835861
    • Q415988
    • Hexachloroethane, VETRANAL(TM), analytical standard
    • F8880-4299
    • 200-666-4

  • Applications

    Hexachloroethane is primarily used as an intermediate in the synthesis of other halogenated hydrocarbons in industrial manufacturing; it can function as a non-polar solvent or a metal cleaning agent in specialized cleaning operations; it may serve as a precursor or reagent in the production of chlorinated polymers and flame-retardant formulations; it is sometimes evaluated as a processing aid in coatings and ink formulations that rely on chlorinated solvents; and in research and development settings it is used for controlled chlorination reactions, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.18
    methanol 24.6
    isopropanol 20.01
    water 0.7
    ethyl acetate 36.15
    n-propanol 23.71
    acetone 54.59
    n-butanol 22.34
    acetonitrile 19.82
    DMF 165.85
    toluene 45.83
    isobutanol 17.89
    1,4-dioxane 87.82
    methyl acetate 38.46
    THF 189.1
    2-butanone 49.42
    n-pentanol 19.08
    sec-butanol 23.03
    n-hexane 14.25
    ethylene glycol 11.44
    NMP 235.38
    cyclohexane 43.21
    DMSO 185.41
    n-butyl acetate 46.99
    n-octanol 27.04
    chloroform 100.37
    n-propyl acetate 30.66
    acetic acid 28.36
    dichloromethane 92.59
    cyclohexanone 97.74
    propylene glycol 11.64
    isopropyl acetate 34.52
    DMAc 147.62
    2-ethoxyethanol 39.68
    isopentanol 20.69
    n-heptane 30.54
    ethyl formate 29.19
    1,2-dichloroethane 66.82
    n-hexanol 27.32
    2-methoxyethanol 59.1
    isobutyl acetate 20.19
    tetrachloromethane 32.16
    n-pentyl acetate 44.41
    transcutol 103.05
    n-heptanol 24.04
    ethylbenzene 29.29
    MIBK 37.55
    2-propoxyethanol 48.83
    tert-butanol 27.83
    MTBE 41.53
    2-butoxyethanol 38.67
    propionic acid 20.82
    o-xylene 45.66
    formic acid 16.95
    diethyl ether 51.64
    m-xylene 36.67
    p-xylene 33.72
    chlorobenzene 43.15
    dimethyl carbonate 30.28
    n-octane 15.64
    formamide 35.45
    cyclopentanone 129.15
    2-pentanone 47.92
    anisole 44.35
    cyclopentyl methyl ether 95.56
    gamma-butyrolactone 113.69
    1-methoxy-2-propanol 48.11
    pyridine 92.83
    3-pentanone 47.93
    furfural 113.61
    n-dodecane 9.71
    diethylene glycol 36.63
    diisopropyl ether 26.45
    tert-amyl alcohol 29.62
    acetylacetone 64.75
    n-hexadecane 10.92
    acetophenone 54.32
    methyl propionate 40.54
    isopentyl acetate 41.75
    trichloroethylene 108.1
    n-nonanol 27.0
    cyclohexanol 43.62
    benzyl alcohol 36.0
    2-ethylhexanol 29.31
    isooctanol 22.28
    dipropyl ether 59.44
    1,2-dichlorobenzene 45.42
    ethyl lactate 20.78
    propylene carbonate 57.38
    n-methylformamide 47.65
    2-pentanol 22.51
    n-pentane 19.87
    1-propoxy-2-propanol 48.12
    1-methoxy-2-propyl acetate 56.24
    2-(2-methoxypropoxy) propanol 47.2
    mesitylene 31.14
    ε-caprolactone 77.7
    p-cymene 39.88
    epichlorohydrin 106.42
    1,1,1-trichloroethane 56.7
    2-aminoethanol 17.15
    morpholine-4-carbaldehyde 151.48
    sulfolane 204.34
    2,2,4-trimethylpentane 11.55
    2-methyltetrahydrofuran 108.71
    n-hexyl acetate 46.43
    isooctane 8.42
    2-(2-butoxyethoxy)ethanol 54.22
    sec-butyl acetate 25.78
    tert-butyl acetate 45.22
    decalin 16.13
    glycerin 21.35
    diglyme 113.5
    acrylic acid 22.73
    isopropyl myristate 29.94
    n-butyric acid 28.57
    acetyl acetate 30.32
    di(2-ethylhexyl) phthalate 26.19
    ethyl propionate 30.26
    nitromethane 54.83
    1,2-diethoxyethane 61.46
    benzonitrile 39.31
    trioctyl phosphate 21.44
    1-bromopropane 51.54
    gamma-valerolactone 130.31
    n-decanol 21.88
    triethyl phosphate 31.97
    4-methyl-2-pentanol 17.49
    propionitrile 20.58
    vinylene carbonate 45.62
    1,1,2-trichlorotrifluoroethane 93.84
    DMS 39.99
    cumene 23.53
    2-octanol 23.4
    2-hexanone 37.39
    octyl acetate 32.2
    limonene 58.82
    1,2-dimethoxyethane 88.31
    ethyl orthosilicate 33.44
    tributyl phosphate 23.21
    diacetone alcohol 49.18
    N,N-dimethylaniline 58.18
    acrylonitrile 26.54
    aniline 46.13
    1,3-propanediol 21.72
    bromobenzene 46.29
    dibromomethane 76.63
    1,1,2,2-tetrachloroethane 104.24
    2-methyl-cyclohexyl acetate 44.63
    tetrabutyl urea 43.6
    diisobutyl methanol 28.68
    2-phenylethanol 43.08
    styrene 32.32
    dioctyl adipate 39.56
    dimethyl sulfate 70.36
    ethyl butyrate 44.71
    methyl lactate 29.45
    butyl lactate 33.75
    diethyl carbonate 28.29
    propanediol butyl ether 34.55
    triethyl orthoformate 42.65
    p-tert-butyltoluene 41.87
    methyl 4-tert-butylbenzoate 64.87
    morpholine 98.48
    tert-butylamine 23.94
    n-dodecanol 18.84
    dimethoxymethane 89.3
    ethylene carbonate 38.44
    cyrene 59.97
    2-ethoxyethyl acetate 49.32
    2-ethylhexyl acetate 40.44
    1,2,4-trichlorobenzene 59.02
    4-methylpyridine 78.18
    dibutyl ether 43.31
    2,6-dimethyl-4-heptanol 28.68
    DEF 85.9
    dimethyl isosorbide 107.65
    tetrachloroethylene 83.37
    eugenol 50.85
    triacetin 49.42
    span 80 44.13
    1,4-butanediol 12.34
    1,1-dichloroethane 47.85
    2-methyl-1-pentanol 18.61
    methyl formate 42.49
    2-methyl-1-butanol 21.06
    n-decane 16.16
    butyronitrile 23.09
    3,7-dimethyl-1-octanol 28.75
    1-chlorooctane 32.22
    1-chlorotetradecane 16.96
    n-nonane 16.77
    undecane 11.97
    tert-butylcyclohexane 13.1
    cyclooctane 22.92
    cyclopentanol 51.18
    tetrahydropyran 85.74
    tert-amyl methyl ether 48.86
    2,5,8-trioxanonane 87.29
    1-hexene 22.98
    2-isopropoxyethanol 31.58
    2,2,2-trifluoroethanol 19.44
    methyl butyrate 38.47

    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