1,1,2,2-Tetrabromoethane

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  • Identifiers

    CAS number
    79-27-6

    Molecular formula
    C2H2Br4

    SMILES
    C(C(Br)Br)(Br)Br

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Odorless 55.64%
    Fishy 40.87%
    Savory 22.54%
    Meaty 22.53%
    Sulfurous 19.99%
    Ripe 19.93%
    Cheesy 17.07%
    Green 16.6%
    Oily 15.88%
    Animal 15.62%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    0.66 (strong acid)

    Molecular weight
    345.65 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 30 °F (NTP, 1992)
    • 0 °C
    • 32 °F

    Boiling point

    • 471 °F at 760 mmHg (NTP, 1992)
    • 243.5 °C; 151 °C @ 54 mm Hg
    • 243.5 °C
    • 474 °F (decomposes)
    • 474 °F (Decomposes)

    Flash point est.
    133.06 ˚C

    Flash point expt.

    • 635 °F (NFPA, 2010)
    • -18 °C (closed cup)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • 0.065 g/100 ml water @ 30 °C
    • Soluble in acetone
    • Miscible in ethanol, ethyl ether, chloroform, aniline, acetic acid; soluble in benzene; slightly soluble in carbon tetrachloride.
    • 0.28 g/100 g water @ 80 °C
    • In water, 678 mg/l @ 25 °C
    • Solubility in water: none
    • 0.07%

  • Synonyms

    • 1,1,2,2-TETRABROMOETHANE
    • 79-27-6
    • Acetylene tetrabromide
    • Ethane, 1,1,2,2-tetrabromo-
    • sym-Tetrabromoethane
    • Muthmann's liquid
    • Tetrabromoacetylene
    • s-Tetrabromoethane
    • Acetylene tetrabomide
    • CCRIS 1272
    • NSC 406889
    • HSDB 1600
    • Muthmanns liquid
    • 1,1,2,2-Tetrabromaethan
    • 1,1,2,2-Tetrabromoetano
    • EINECS 201-191-5
    • TBE
    • UNII-V00GKC584O
    • 1,1,2,2-Tetrabroomethaan
    • BRN 1098321
    • V00GKC584O
    • DTXSID1026083
    • AI3-08850
    • NSC-406889
    • UN 2504 (Salt/Mix)
    • 1,1,2,2-Tetrabromoethylene
    • DTXCID206083
    • SYM-TETRABROMOETHANE [MI]
    • 1,1,2,2-Tetrabromaethan [German]
    • 1,1,2,2-Tetrabroomethaan [Dutch]
    • 1,1,2,2-Tetrabromoetano [Italian]
    • symTetrabromoethane
    • MFCD00000133
    • WLN: EYEYEE
    • 1,2,2-Tetrabromaethan
    • 1,2,2-Tetrabromoetano
    • 1,2,2-Tetrabromoethane
    • 1,2,2-Tetrabroomethaan
    • Ethane,1,2,2-tetrabromo-
    • SCHEMBL14963
    • 1, 1,2,2-Tetrabromoethane
    • 1,1,2,2-tetrabromo-ethane
    • 1 pound not1 pound not2 pound not2-tetrabromoethane
    • CHEMBL1438332
    • 1,1,2,2-Tetrabromoethane, 98%
    • 1,1,2,2-Tetrabromoethane,coloured
    • Tox21_200364
    • NSC406889
    • Acetylene tetrabromide (ACGIH:OSHA)
    • AKOS002664703
    • 1,1,2,2-Tetrabromoethane, 98.0%
    • CAS-79-27-6
    • 1, 1, 2, 2-TETRABROMOETHANE
    • NCGC00091236-01
    • NCGC00091236-02
    • NCGC00257918-01
    • LS-12933
    • Acetylene tetrabromide Muthmanns liquid TBE
    • DB-056355
    • NS00038034
    • T0034
    • D97681
    • Q161271
    • 1,1,2,2-Tetrabromoethane, SAJ first grade, >=98.0%
    • F1905-7026
    • ACETYLENE TETRABROMIDE (1,1,2,2-TETRABROMOETHANE)
    • 201-191-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.73
    methanol 4.79
    isopropanol 8.07
    water 0.18
    ethyl acetate 36.67
    n-propanol 9.52
    acetone 43.35
    n-butanol 11.1
    acetonitrile 16.19
    DMF 72.12
    toluene 61.52
    isobutanol 9.09
    1,4-dioxane 83.33
    methyl acetate 36.54
    THF 165.56
    2-butanone 41.59
    n-pentanol 14.27
    sec-butanol 11.51
    n-hexane 13.54
    ethylene glycol 3.19
    NMP 184.72
    cyclohexane 35.05
    DMSO 84.84
    n-butyl acetate 63.94
    n-octanol 24.91
    chloroform 107.47
    n-propyl acetate 41.33
    acetic acid 17.2
    dichloromethane 93.18
    cyclohexanone 108.33
    propylene glycol 4.63
    isopropyl acetate 38.62
    DMAc 89.23
    2-ethoxyethanol 27.13
    isopentanol 13.76
    n-heptane 30.69
    ethyl formate 23.6
    1,2-dichloroethane 66.44
    n-hexanol 24.0
    2-methoxyethanol 27.71
    isobutyl acetate 34.92
    tetrachloromethane 36.67
    n-pentyl acetate 52.93
    transcutol 98.47
    n-heptanol 21.08
    ethylbenzene 44.22
    MIBK 42.61
    2-propoxyethanol 42.67
    tert-butanol 14.19
    MTBE 31.96
    2-butoxyethanol 36.02
    propionic acid 13.93
    o-xylene 57.83
    formic acid 4.91
    diethyl ether 34.88
    m-xylene 53.48
    p-xylene 55.6
    chlorobenzene 74.4
    dimethyl carbonate 26.63
    n-octane 16.44
    formamide 11.27
    cyclopentanone 136.53
    2-pentanone 43.53
    anisole 66.1
    cyclopentyl methyl ether 109.12
    gamma-butyrolactone 121.76
    1-methoxy-2-propanol 27.22
    pyridine 89.03
    3-pentanone 43.61
    furfural 131.45
    n-dodecane 12.02
    diethylene glycol 24.86
    diisopropyl ether 27.76
    tert-amyl alcohol 17.99
    acetylacetone 78.96
    n-hexadecane 14.07
    acetophenone 82.22
    methyl propionate 35.31
    isopentyl acetate 60.57
    trichloroethylene 140.27
    n-nonanol 26.86
    cyclohexanol 31.35
    benzyl alcohol 40.13
    2-ethylhexanol 34.21
    isooctanol 21.68
    dipropyl ether 62.24
    1,2-dichlorobenzene 81.53
    ethyl lactate 22.48
    propylene carbonate 70.68
    n-methylformamide 20.28
    2-pentanol 13.63
    n-pentane 11.91
    1-propoxy-2-propanol 47.15
    1-methoxy-2-propyl acetate 68.84
    2-(2-methoxypropoxy) propanol 56.12
    mesitylene 47.3
    ε-caprolactone 91.88
    p-cymene 59.92
    epichlorohydrin 121.91
    1,1,1-trichloroethane 78.48
    2-aminoethanol 5.88
    morpholine-4-carbaldehyde 126.27
    sulfolane 198.39
    2,2,4-trimethylpentane 11.66
    2-methyltetrahydrofuran 112.7
    n-hexyl acetate 56.13
    isooctane 9.9
    2-(2-butoxyethoxy)ethanol 55.47
    sec-butyl acetate 39.46
    tert-butyl acetate 56.42
    decalin 25.4
    glycerin 8.19
    diglyme 109.2
    acrylic acid 16.51
    isopropyl myristate 42.65
    n-butyric acid 20.71
    acetyl acetate 41.2
    di(2-ethylhexyl) phthalate 37.04
    ethyl propionate 38.17
    nitromethane 40.99
    1,2-diethoxyethane 71.57
    benzonitrile 58.44
    trioctyl phosphate 28.33
    1-bromopropane 45.95
    gamma-valerolactone 136.84
    n-decanol 22.96
    triethyl phosphate 44.22
    4-methyl-2-pentanol 14.59
    propionitrile 16.77
    vinylene carbonate 58.86
    1,1,2-trichlorotrifluoroethane 81.91
    DMS 53.69
    cumene 37.83
    2-octanol 21.64
    2-hexanone 47.53
    octyl acetate 42.57
    limonene 81.69
    1,2-dimethoxyethane 69.87
    ethyl orthosilicate 45.21
    tributyl phosphate 33.5
    diacetone alcohol 48.04
    N,N-dimethylaniline 69.67
    acrylonitrile 22.48
    aniline 45.5
    1,3-propanediol 8.68
    bromobenzene 86.32
    dibromomethane 75.92
    1,1,2,2-tetrachloroethane 113.31
    2-methyl-cyclohexyl acetate 69.31
    tetrabutyl urea 56.89
    diisobutyl methanol 34.12
    2-phenylethanol 51.64
    styrene 51.4
    dioctyl adipate 58.04
    dimethyl sulfate 56.65
    ethyl butyrate 61.23
    methyl lactate 21.37
    butyl lactate 37.83
    diethyl carbonate 40.9
    propanediol butyl ether 28.71
    triethyl orthoformate 58.19
    p-tert-butyltoluene 60.35
    methyl 4-tert-butylbenzoate 80.57
    morpholine 72.56
    tert-butylamine 13.42
    n-dodecanol 20.59
    dimethoxymethane 53.31
    ethylene carbonate 46.35
    cyrene 76.31
    2-ethoxyethyl acetate 61.6
    2-ethylhexyl acetate 62.68
    1,2,4-trichlorobenzene 110.13
    4-methylpyridine 88.23
    dibutyl ether 49.27
    2,6-dimethyl-4-heptanol 34.12
    DEF 64.26
    dimethyl isosorbide 154.74
    tetrachloroethylene 84.67
    eugenol 63.96
    triacetin 68.11
    span 80 52.19
    1,4-butanediol 6.66
    1,1-dichloroethane 50.13
    2-methyl-1-pentanol 17.47
    methyl formate 23.02
    2-methyl-1-butanol 13.01
    n-decane 17.81
    butyronitrile 19.79
    3,7-dimethyl-1-octanol 31.23
    1-chlorooctane 36.9
    1-chlorotetradecane 22.46
    n-nonane 18.0
    undecane 14.24
    tert-butylcyclohexane 20.19
    cyclooctane 23.85
    cyclopentanol 36.04
    tetrahydropyran 78.53
    tert-amyl methyl ether 40.88
    2,5,8-trioxanonane 94.11
    1-hexene 23.95
    2-isopropoxyethanol 28.1
    2,2,2-trifluoroethanol 14.13
    methyl butyrate 46.71

    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