2,3-Dibromobutane

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  • Identifiers

    CAS number
    5408-86-6

    Molecular formula
    C4H8Br2

    SMILES
    CC(C(C)Br)Br

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 30.81%
    Woody 30.16%
    Meaty 25.72%
    Citrus 24.7%
    Floral 23.97%
    Fresh 23.79%
    Grapefruit 22.39%
    Burnt 22.37%
    Mint 22.27%
    Cheesy 21.73%

     

    Flavor
    Sulfurous 33.71%
    Meaty 29.49%
    Fishy 23.36%
    Ammoniacal 23.19%
    Sulfury 22.3%
    Onion 22.01%
    Bloody 20.15%
    Glue 20.09%
    Skunky 19.04%
    Bouillon 18.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.3 (weak acid)

    Molecular weight
    215.91 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    159°C

    Flash point

    • 51.76 ˚C est.

  • Synonyms

    • 2,3-DIBROMOBUTANE
    • 5408-86-6
    • Butane, 2,3-dibromo-
    • DTXSID70871128
    • RefChem:441985
    • DTXCID60818800
    • 226-476-1
    • 598-71-0
    • (+/-)-2,3-Dibromobutane
    • MFCD00000146
    • dl-2,3-Dibromobutane
    • dibromo butane
    • rel-(2S,3S)-2,3-dibromobutane
    • (.+-.)-2,3-Dibromobutane
    • NSC8414
    • NSC 8414
    • Butane,3-dibromo-
    • EINECS 226-476-1
    • (R*,R*)-(+-)-2,3-Dibromobutane
    • starbld0004331
    • .beta.-Butylene bromide
    • Butane, 2,3-dibromo-, (R*,R*)-(+-)-
    • Butane,3-dibromo-, meso-
    • SCHEMBL338606
    • SCHEMBL1668124
    • SCHEMBL7875809
    • SCHEMBL11068057
    • Butane,3-dibromo-, (.+-.)-
    • Butane,3-dibromo-, (R*,S*)-
    • FAA40886
    • NSC-8414
    • NSC115796
    • NSC245048
    • STL264217
    • (+/-)-2,3-Dibromobutane, 98%
    • 2,3-Dibromobutane, (+/-) + meso
    • AKOS015913326
    • CS-W014879
    • NSC 245048
    • NSC-115796
    • NSC-245048
    • AS-10545
    • SY029617
    • DB-052476
    • D0177
    • NS00043165
    • Butane,3-dibromo-, (R*,R*)-(.+-.)-
    • D89609
    • EN300-124518
    • F0001-1420
    • InChI=1/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H
    • 23-Dibromobutane Mixture Of ( inverted exclamation markA) And Meso
    • 5408-86-6

  • Applications

    2,3-Dibromobutane (CAS 5408-86-6) is primarily used as an organic synthesis intermediate; practical applications include serving as a building block for further transformations in complex organic synthesis; acting as a precursor to alkynes via double dehalogenation (for example to give 2-butyne); serving as a precursor to conjugated dienes through elimination of the two bromine atoms; providing stereochemical building blocks for chiral or meso compounds in synthesis; and being used in research and development to study reaction mechanisms and to explore halogenation and elimination methodologies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.87
    methanol 16.29
    isopropanol 22.2
    water 1.07
    ethyl acetate 70.16
    n-propanol 23.72
    acetone 90.13
    n-butanol 25.51
    acetonitrile 42.69
    DMF 96.83
    toluene 65.08
    isobutanol 20.73
    1,4-dioxane 142.59
    methyl acetate 78.94
    THF 198.05
    2-butanone 86.29
    n-pentanol 24.77
    sec-butanol 28.01
    n-hexane 14.68
    ethylene glycol 6.12
    NMP 190.93
    cyclohexane 28.34
    DMSO 100.71
    n-butyl acetate 76.81
    n-octanol 33.65
    chloroform 194.13
    n-propyl acetate 61.95
    acetic acid 42.29
    dichloromethane 139.93
    cyclohexanone 139.43
    propylene glycol 9.55
    isopropyl acetate 64.05
    DMAc 148.6
    2-ethoxyethanol 47.97
    isopentanol 27.91
    n-heptane 25.39
    ethyl formate 43.86
    1,2-dichloroethane 85.77
    n-hexanol 35.5
    2-methoxyethanol 52.62
    isobutyl acetate 49.96
    tetrachloromethane 73.47
    n-pentyl acetate 68.95
    transcutol 154.82
    n-heptanol 33.52
    ethylbenzene 46.82
    MIBK 62.56
    2-propoxyethanol 60.46
    tert-butanol 38.21
    MTBE 65.18
    2-butoxyethanol 58.14
    propionic acid 34.49
    o-xylene 69.49
    formic acid 13.03
    diethyl ether 59.81
    m-xylene 53.82
    p-xylene 69.81
    chlorobenzene 87.89
    dimethyl carbonate 35.49
    n-octane 13.85
    formamide 27.8
    cyclopentanone 172.96
    2-pentanone 73.25
    anisole 96.48
    cyclopentyl methyl ether 109.6
    gamma-butyrolactone 156.8
    1-methoxy-2-propanol 48.98
    pyridine 119.3
    3-pentanone 72.07
    furfural 169.14
    n-dodecane 10.35
    diethylene glycol 35.97
    diisopropyl ether 40.12
    tert-amyl alcohol 43.88
    acetylacetone 115.07
    n-hexadecane 11.81
    acetophenone 107.32
    methyl propionate 57.84
    isopentyl acetate 72.92
    trichloroethylene 186.79
    n-nonanol 36.16
    cyclohexanol 44.11
    benzyl alcohol 56.59
    2-ethylhexanol 41.81
    isooctanol 32.25
    dipropyl ether 67.52
    1,2-dichlorobenzene 97.01
    ethyl lactate 32.47
    propylene carbonate 94.66
    n-methylformamide 34.48
    2-pentanol 26.16
    n-pentane 14.57
    1-propoxy-2-propanol 61.92
    1-methoxy-2-propyl acetate 89.94
    2-(2-methoxypropoxy) propanol 77.85
    mesitylene 46.16
    ε-caprolactone 127.52
    p-cymene 55.63
    epichlorohydrin 149.33
    1,1,1-trichloroethane 144.17
    2-aminoethanol 12.77
    morpholine-4-carbaldehyde 168.56
    sulfolane 220.49
    2,2,4-trimethylpentane 14.42
    2-methyltetrahydrofuran 145.24
    n-hexyl acetate 71.62
    isooctane 10.09
    2-(2-butoxyethoxy)ethanol 80.99
    sec-butyl acetate 58.7
    tert-butyl acetate 90.69
    decalin 22.46
    glycerin 15.06
    diglyme 159.31
    acrylic acid 33.31
    isopropyl myristate 50.58
    n-butyric acid 43.77
    acetyl acetate 73.26
    di(2-ethylhexyl) phthalate 41.92
    ethyl propionate 57.42
    nitromethane 88.79
    1,2-diethoxyethane 98.23
    benzonitrile 71.68
    trioctyl phosphate 31.26
    1-bromopropane 60.98
    gamma-valerolactone 186.38
    n-decanol 29.77
    triethyl phosphate 56.79
    4-methyl-2-pentanol 24.43
    propionitrile 36.49
    vinylene carbonate 87.57
    1,1,2-trichlorotrifluoroethane 117.47
    DMS 67.67
    cumene 42.12
    2-octanol 29.91
    2-hexanone 70.52
    octyl acetate 52.45
    limonene 75.66
    1,2-dimethoxyethane 117.22
    ethyl orthosilicate 58.98
    tributyl phosphate 36.24
    diacetone alcohol 82.7
    N,N-dimethylaniline 85.47
    acrylonitrile 41.33
    aniline 62.79
    1,3-propanediol 20.44
    bromobenzene 92.4
    dibromomethane 102.31
    1,1,2,2-tetrachloroethane 162.36
    2-methyl-cyclohexyl acetate 80.14
    tetrabutyl urea 51.36
    diisobutyl methanol 40.3
    2-phenylethanol 63.35
    styrene 55.61
    dioctyl adipate 66.28
    dimethyl sulfate 76.05
    ethyl butyrate 78.06
    methyl lactate 32.07
    butyl lactate 46.55
    diethyl carbonate 55.62
    propanediol butyl ether 43.0
    triethyl orthoformate 72.65
    p-tert-butyltoluene 59.9
    methyl 4-tert-butylbenzoate 95.92
    morpholine 115.72
    tert-butylamine 30.99
    n-dodecanol 26.13
    dimethoxymethane 67.67
    ethylene carbonate 69.04
    cyrene 99.54
    2-ethoxyethyl acetate 90.27
    2-ethylhexyl acetate 70.09
    1,2,4-trichlorobenzene 131.02
    4-methylpyridine 117.36
    dibutyl ether 61.1
    2,6-dimethyl-4-heptanol 40.3
    DEF 85.97
    dimethyl isosorbide 171.2
    tetrachloroethylene 118.4
    eugenol 83.17
    triacetin 97.47
    span 80 71.8
    1,4-butanediol 11.47
    1,1-dichloroethane 89.56
    2-methyl-1-pentanol 30.28
    methyl formate 35.67
    2-methyl-1-butanol 27.01
    n-decane 16.46
    butyronitrile 38.79
    3,7-dimethyl-1-octanol 42.07
    1-chlorooctane 40.34
    1-chlorotetradecane 22.49
    n-nonane 15.87
    undecane 12.53
    tert-butylcyclohexane 20.87
    cyclooctane 16.7
    cyclopentanol 52.79
    tetrahydropyran 106.16
    tert-amyl methyl ether 67.3
    2,5,8-trioxanonane 133.62
    1-hexene 29.25
    2-isopropoxyethanol 46.09
    2,2,2-trifluoroethanol 36.43
    methyl butyrate 69.65

    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
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Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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Products with body and hand exposure, primarily rinse off
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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