Pentachloroethane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    76-01-7

    Molecular formula
    C2HCl5

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

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 46.1%
    Woody 32.98%
    Sweet 29.15%
    Balsamic 24.69%
    Fishy 23.31%
    Floral 23.29%
    Dry 19.86%
    Waxy 19.78%
    Clean 19.12%
    Animal 18.62%

     

    Flavor
    Odorless 33.58%
    Sulfurous 22.83%
    Sulfury 18.93%
    Mild 18.92%
    Bland 18.88%
    Bloody 18.39%
    Glue 18.34%
    Skunky 17.86%
    Bouillon 17.83%
    Sweet-like 17.68%

     

    Odor impact est.
    Medium

    Odor threshold

    • It has a sweetish odor, not unlike chloroform. The threshold at which the odor is detected has not been determined, and therefore its value as a warning is not known.
    • It has a camphor-like odor.

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    4.11 (weak acid)

    Molecular weight
    202.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -20 °F (NTP, 1992)
    • -28.78 °C
    • -29 °C
    • -20 °F

    Boiling point

    • 324 °F at 760 mmHg (NTP, 1992)
    • 162.0 °C
    • 162 °C
    • 322 °F

    Flash point

    • 55.91 ˚C est.

    Solubility expt.

    • less than 0.1 mg/mL at 70 °F (NTP, 1992)
    • Wt per gallon at 20 °C = 14.00 lb; latent heat of vaporization at bp = 43.6 cal/g = 78.4 Btu/lb; acidity as HCl = 0.001% by wt, max; coefficient of cubical expansion Av/deg C, liquid = 0.0009097; solubility of water in solvent at 20 °C = 0.24 g water/100 g
    • Miscible with ethanol, ether
    • Miscible in most common organic solvents
    • In water, 4.90X10+2 mg/L at 25 °C
    • Solubility in water: very poor
    • 0.05%

  • Synonyms

    • PENTACHLOROETHANE
    • 76-01-7
    • 1,1,1,2,2-Pentachloroethane
    • Pentalin
    • Ethane, pentachloro-
    • Ethane pentachloride
    • Pentacloroetano
    • Pentachloraethan
    • Pentachlorethane
    • Pentachloorethaan
    • Caswell No. 639B
    • RCRA waste number U184
    • EINECS 200-925-1
    • CCRIS 494
    • Pentaline
    • QOJ9TH7LDL
    • UNII-QOJ9TH7LDL
    • HSDB 2034
    • 1,1,1,2,2-Pentachloro-ethane
    • NCI-C53894
    • ethane, 1,1,1,2,2-pentachloro-
    • UN1669
    • EPA Pesticide Chemical Code 598300
    • BRN 1736845
    • CCl3CHCl2
    • CHCl2CCl3
    • Cl3CCHCl2
    • DTXSID7021104
    • CHEBI:76287
    • PENTACHLOROETHANE [MI]
    • DTXCID901104
    • PENTACHLOROETHANE [IARC]
    • 4-01-00-00147 (Beilstein Handbook Reference)
    • UN 1669
    • PENTACHLOROETHANE (IARC)
    • Pentachloorethaan [Dutch]
    • Pentachloraethan [German]
    • Pentachlorethane [French]
    • Pentacloroetano [Italian]
    • RCRA waste no. U184
    • Ethane, pentachloro
    • MFCD00000846
    • Pentachloroethane, 95%
    • SCHEMBL4728
    • 1,1,1,2,2Pentachloroethane
    • CHEMBL350040
    • Ethane, 1,1,1,2,2pentachloro
    • 1,1,1,2,2-Pentachloroethane #
    • Tox21_201141
    • STL280308
    • Pentachloroethane, analytical standard
    • AKOS015848786
    • 1,1,1,2,2-pentakis(chloranyl)ethane
    • CAS-76-01-7
    • NCGC00248935-01
    • NCGC00258693-01
    • Pentachloroethane [UN1669] [Poison]
    • DB-361506
    • NS00020348
    • P0031
    • Pentachloroethane 2000 microg/mL in Methanol
    • C19496
    • A838584
    • Pentachloroethane, PESTANAL(R), analytical standard
    • Q4348652
    • 200-925-1

  • Applications

    Pentachloroethane (CAS 76-01-7) is primarily used as a chemical intermediate in the production of higher chlorinated hydrocarbons and other chlorinated solvent systems. It also serves as a specialty solvent and process aid in industrial manufacturing, where it may be employed for extraction, degreasing, or cleaning of metal parts and equipment. In coatings, inks, and polymer processing, it can be used as a solvent or processing aid under controlled formulations. It may be evaluated as a reactive feedstock for synthesis of additional halogenated compounds in research and development settings. Its use is typically limited by formulation requirements and regulatory constraints and should be restricted to applications compatible with local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.12
    methanol 55.69
    isopropanol 38.12
    water 4.77
    ethyl acetate 64.96
    n-propanol 41.51
    acetone 126.9
    n-butanol 39.65
    acetonitrile 55.86
    DMF 317.97
    toluene 70.38
    isobutanol 31.93
    1,4-dioxane 153.88
    methyl acetate 75.24
    THF 262.64
    2-butanone 92.45
    n-pentanol 37.64
    sec-butanol 43.31
    n-hexane 22.3
    ethylene glycol 29.35
    NMP 354.28
    cyclohexane 50.58
    DMSO 319.64
    n-butyl acetate 70.33
    n-octanol 48.72
    chloroform 132.14
    n-propyl acetate 60.94
    acetic acid 60.59
    dichloromethane 131.2
    cyclohexanone 148.71
    propylene glycol 23.09
    isopropyl acetate 58.62
    DMAc 286.97
    2-ethoxyethanol 88.57
    isopentanol 36.29
    n-heptane 42.29
    ethyl formate 55.51
    1,2-dichloroethane 100.82
    n-hexanol 46.08
    2-methoxyethanol 117.39
    isobutyl acetate 42.42
    tetrachloromethane 39.35
    n-pentyl acetate 59.14
    transcutol 207.53
    n-heptanol 38.93
    ethylbenzene 47.09
    MIBK 67.07
    2-propoxyethanol 89.77
    tert-butanol 50.28
    MTBE 72.27
    2-butoxyethanol 65.56
    propionic acid 34.56
    o-xylene 73.28
    formic acid 38.37
    diethyl ether 87.16
    m-xylene 59.4
    p-xylene 58.61
    chlorobenzene 61.8
    dimethyl carbonate 60.73
    n-octane 20.58
    formamide 73.03
    cyclopentanone 185.17
    2-pentanone 89.95
    anisole 89.02
    cyclopentyl methyl ether 150.63
    gamma-butyrolactone 155.45
    1-methoxy-2-propanol 94.02
    pyridine 129.31
    3-pentanone 85.61
    furfural 166.07
    n-dodecane 14.74
    diethylene glycol 81.21
    diisopropyl ether 46.43
    tert-amyl alcohol 53.02
    acetylacetone 126.07
    n-hexadecane 16.1
    acetophenone 106.45
    methyl propionate 72.67
    isopentyl acetate 61.55
    trichloroethylene 158.1
    n-nonanol 47.27
    cyclohexanol 72.23
    benzyl alcohol 67.14
    2-ethylhexanol 47.87
    isooctanol 34.63
    dipropyl ether 92.24
    1,2-dichlorobenzene 65.13
    ethyl lactate 44.22
    propylene carbonate 80.79
    n-methylformamide 94.27
    2-pentanol 38.85
    n-pentane 30.83
    1-propoxy-2-propanol 82.88
    1-methoxy-2-propyl acetate 88.22
    2-(2-methoxypropoxy) propanol 87.62
    mesitylene 48.79
    ε-caprolactone 110.0
    p-cymene 55.52
    epichlorohydrin 158.57
    1,1,1-trichloroethane 77.51
    2-aminoethanol 35.76
    morpholine-4-carbaldehyde 261.77
    sulfolane 257.39
    2,2,4-trimethylpentane 16.76
    2-methyltetrahydrofuran 157.55
    n-hexyl acetate 66.46
    isooctane 13.05
    2-(2-butoxyethoxy)ethanol 98.3
    sec-butyl acetate 49.45
    tert-butyl acetate 72.23
    decalin 22.82
    glycerin 45.75
    diglyme 197.57
    acrylic acid 40.78
    isopropyl myristate 46.36
    n-butyric acid 43.39
    acetyl acetate 53.91
    di(2-ethylhexyl) phthalate 41.81
    ethyl propionate 60.22
    nitromethane 123.4
    1,2-diethoxyethane 110.01
    benzonitrile 69.92
    trioctyl phosphate 34.17
    1-bromopropane 68.71
    gamma-valerolactone 190.51
    n-decanol 39.7
    triethyl phosphate 52.4
    4-methyl-2-pentanol 31.21
    propionitrile 42.93
    vinylene carbonate 70.59
    1,1,2-trichlorotrifluoroethane 139.76
    DMS 63.48
    cumene 39.4
    2-octanol 36.87
    2-hexanone 76.87
    octyl acetate 51.59
    limonene 82.53
    1,2-dimethoxyethane 191.95
    ethyl orthosilicate 52.93
    tributyl phosphate 38.6
    diacetone alcohol 84.16
    N,N-dimethylaniline 108.09
    acrylonitrile 56.78
    aniline 70.27
    1,3-propanediol 40.9
    bromobenzene 59.61
    dibromomethane 100.47
    1,1,2,2-tetrachloroethane 143.82
    2-methyl-cyclohexyl acetate 68.29
    tetrabutyl urea 70.64
    diisobutyl methanol 44.81
    2-phenylethanol 66.02
    styrene 53.51
    dioctyl adipate 62.95
    dimethyl sulfate 116.59
    ethyl butyrate 75.7
    methyl lactate 54.68
    butyl lactate 49.25
    diethyl carbonate 49.03
    propanediol butyl ether 61.24
    triethyl orthoformate 67.53
    p-tert-butyltoluene 56.52
    methyl 4-tert-butylbenzoate 95.72
    morpholine 160.87
    tert-butylamine 41.97
    n-dodecanol 34.59
    dimethoxymethane 177.43
    ethylene carbonate 57.28
    cyrene 108.48
    2-ethoxyethyl acetate 71.44
    2-ethylhexyl acetate 59.2
    1,2,4-trichlorobenzene 84.84
    4-methylpyridine 123.19
    dibutyl ether 70.26
    2,6-dimethyl-4-heptanol 44.81
    DEF 148.72
    dimethyl isosorbide 166.63
    tetrachloroethylene 110.08
    eugenol 84.56
    triacetin 86.54
    span 80 72.78
    1,4-butanediol 27.46
    1,1-dichloroethane 72.74
    2-methyl-1-pentanol 36.08
    methyl formate 84.36
    2-methyl-1-butanol 36.35
    n-decane 22.99
    butyronitrile 46.03
    3,7-dimethyl-1-octanol 48.97
    1-chlorooctane 47.21
    1-chlorotetradecane 26.07
    n-nonane 23.48
    undecane 17.73
    tert-butylcyclohexane 19.32
    cyclooctane 28.7
    cyclopentanol 76.61
    tetrahydropyran 132.53
    tert-amyl methyl ether 82.87
    2,5,8-trioxanonane 161.15
    1-hexene 39.42
    2-isopropoxyethanol 67.85
    2,2,2-trifluoroethanol 42.49
    methyl butyrate 76.05

    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