2-Bromobutane

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  • Identifiers

    CAS number
    78-76-2

    Molecular formula
    C4H9Br

    SMILES
    CCC(C)Br

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 41.59%
    Ethereal 40.71%
    Fresh 39.47%
    Green 39.12%
    Sweet 34.56%
    Gassy 33.06%
    Fermented 32.76%
    Cheesy 31.88%
    Musty 30.66%
    Solvent 30.37%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    137.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -169.4 °F (USCG, 1999)
    • -112 °C

    Boiling point

    • 196.5 °F at 760 mmHg (USCG, 1999)
    • 91.2 °C

    Flash point est.
    4.9 ˚C

    Flash point expt.

    • 70 °F (USCG, 1999)
    • 21.1 °C
    • 70 °F (Open Cup)

    Solubility expt.

    • Soluble in alcohol and ether; insoluble in water.

  • Synonyms

    • 2-Bromobutane
    • 78-76-2
    • SEC-BUTYL BROMIDE
    • Butane, 2-bromo-
    • 2-Butyl bromide
    • Methylethylbromomethane
    • 2-Bromo-butane
    • Secondary butyl bromide
    • CCRIS 106
    • HSDB 2197
    • 1-Bromo-1-methylpropane
    • UNII-SSI829JO4W
    • NSC 8417
    • EINECS 201-140-7
    • SSI829JO4W
    • UN2339
    • BRN 0505949
    • sec-C4H9Br
    • DTXSID7021499
    • AI3-25262
    • NSC-8417
    • (.+/-.)-2-Bromobutane
    • DTXCID201499
    • SEC-BUTYL BROMIDE [MI]
    • 0-01-00-00119 (Beilstein Handbook Reference)
    • 2-BROMOBUTANE, (+/-)-
    • SEC-BUTYL BROMIDE, (+/-)-
    • UN 2339
    • SEC-BUTYL BROMIDE DL-FORM [MI]
    • sec-Butylbromide
    • (+-)-2-Bromobutane
    • MFCD00000156
    • secButyl bromide
    • 3-bromobutane
    • 2-brombutane
    • 2Butyl bromide
    • 2-Bromo butane
    • Butane, 2bromo
    • sec. butyl bromide
    • sec.-butyl bromide
    • 1-Methylpropyl bromide
    • 2-Bromobutane, 98%
    • (+/-)-2-Bromobutane
    • SCHEMBL27724
    • CHEMBL156276
    • SCHEMBL6999177
    • WLN: EY2&1
    • 2-BUTYL BROMIDE [HSDB]
    • (+-)-SEC-BUTYL BROMIDE
    • METHYL ETHYL BROMO-METHANE
    • NSC8417
    • SEC-BUTYL BROMIDE DL-FORM
    • (.+-.)-2-BROMOBUTANE
    • CIA39272
    • STR03634
    • Tox21_200633
    • (.+-.)-SEC-BUTYL BROMIDE
    • AKOS009157105
    • CAS-78-76-2
    • NCGC00248774-01
    • NCGC00258187-01
    • Methylethylbromoomethane;sec-Butyl bromide
    • 2-Bromobutane, purum, >=98.0% (GC)
    • DB-021233
    • B0561
    • NS00022800
    • EN300-82118
    • 2-Bromobutane [UN2339] [Flammable liquid]
    • G77187
    • Q209314
    • F0001-2055
    • 201-140-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 148.49
    methanol 101.78
    isopropanol 144.51
    water 1.01
    ethyl acetate 233.6
    n-propanol 156.1
    acetone 239.46
    n-butanol 176.14
    acetonitrile 160.71
    DMF 166.71
    toluene 203.5
    isobutanol 124.48
    1,4-dioxane 414.37
    methyl acetate 210.97
    THF 507.81
    2-butanone 266.43
    n-pentanol 140.92
    sec-butanol 172.73
    n-hexane 69.55
    ethylene glycol 30.56
    NMP 272.35
    cyclohexane 117.5
    DMSO 198.74
    n-butyl acetate 285.7
    n-octanol 149.06
    chloroform 569.26
    n-propyl acetate 172.89
    acetic acid 155.44
    dichloromethane 369.42
    cyclohexanone 350.11
    propylene glycol 56.71
    isopropyl acetate 178.6
    DMAc 250.25
    2-ethoxyethanol 172.08
    isopentanol 156.76
    n-heptane 108.38
    ethyl formate 115.18
    1,2-dichloroethane 214.88
    n-hexanol 228.0
    2-methoxyethanol 192.4
    isobutyl acetate 133.75
    tetrachloromethane 198.52
    n-pentyl acetate 209.77
    transcutol 615.29
    n-heptanol 152.55
    ethylbenzene 117.01
    MIBK 169.69
    2-propoxyethanol 264.44
    tert-butanol 220.09
    MTBE 247.93
    2-butoxyethanol 214.14
    propionic acid 139.97
    o-xylene 164.18
    formic acid 35.73
    diethyl ether 243.16
    m-xylene 150.85
    p-xylene 157.03
    chlorobenzene 232.05
    dimethyl carbonate 65.33
    n-octane 47.5
    formamide 55.37
    cyclopentanone 358.37
    2-pentanone 236.59
    anisole 218.77
    cyclopentyl methyl ether 289.78
    gamma-butyrolactone 295.29
    1-methoxy-2-propanol 183.83
    pyridine 309.79
    3-pentanone 209.43
    furfural 313.37
    n-dodecane 33.63
    diethylene glycol 158.7
    diisopropyl ether 120.16
    tert-amyl alcohol 220.43
    acetylacetone 246.78
    n-hexadecane 37.37
    acetophenone 204.05
    methyl propionate 153.78
    isopentyl acetate 243.11
    trichloroethylene 449.34
    n-nonanol 144.31
    cyclohexanol 193.87
    benzyl alcohol 147.0
    2-ethylhexanol 190.98
    isooctanol 128.54
    dipropyl ether 241.08
    1,2-dichlorobenzene 214.54
    ethyl lactate 87.23
    propylene carbonate 206.67
    n-methylformamide 79.4
    2-pentanol 152.04
    n-pentane 75.0
    1-propoxy-2-propanol 268.77
    1-methoxy-2-propyl acetate 254.25
    2-(2-methoxypropoxy) propanol 229.32
    mesitylene 116.72
    ε-caprolactone 310.78
    p-cymene 139.19
    epichlorohydrin 320.15
    1,1,1-trichloroethane 403.85
    2-aminoethanol 67.14
    morpholine-4-carbaldehyde 297.38
    sulfolane 329.43
    2,2,4-trimethylpentane 53.19
    2-methyltetrahydrofuran 431.6
    n-hexyl acetate 234.44
    isooctane 37.74
    2-(2-butoxyethoxy)ethanol 286.67
    sec-butyl acetate 154.36
    tert-butyl acetate 224.66
    decalin 63.59
    glycerin 72.13
    diglyme 439.37
    acrylic acid 110.74
    isopropyl myristate 131.92
    n-butyric acid 202.94
    acetyl acetate 184.15
    di(2-ethylhexyl) phthalate 114.69
    ethyl propionate 148.82
    nitromethane 197.56
    1,2-diethoxyethane 341.72
    benzonitrile 192.15
    trioctyl phosphate 82.73
    1-bromopropane 214.42
    gamma-valerolactone 366.11
    n-decanol 111.05
    triethyl phosphate 123.02
    4-methyl-2-pentanol 106.53
    propionitrile 153.77
    vinylene carbonate 174.06
    1,1,2-trichlorotrifluoroethane 252.63
    DMS 160.8
    cumene 95.39
    2-octanol 123.09
    2-hexanone 204.92
    octyl acetate 155.17
    limonene 216.19
    1,2-dimethoxyethane 286.2
    ethyl orthosilicate 133.44
    tributyl phosphate 95.45
    diacetone alcohol 223.84
    N,N-dimethylaniline 160.92
    acrylonitrile 144.28
    aniline 184.03
    1,3-propanediol 107.54
    bromobenzene 240.81
    dibromomethane 295.25
    1,1,2,2-tetrachloroethane 406.98
    2-methyl-cyclohexyl acetate 203.71
    tetrabutyl urea 121.39
    diisobutyl methanol 139.79
    2-phenylethanol 202.05
    styrene 142.96
    dioctyl adipate 171.01
    dimethyl sulfate 108.86
    ethyl butyrate 231.37
    methyl lactate 80.51
    butyl lactate 147.09
    diethyl carbonate 151.55
    propanediol butyl ether 165.18
    triethyl orthoformate 184.24
    p-tert-butyltoluene 148.53
    methyl 4-tert-butylbenzoate 209.73
    morpholine 367.95
    tert-butylamine 161.73
    n-dodecanol 89.53
    dimethoxymethane 142.93
    ethylene carbonate 150.0
    cyrene 192.61
    2-ethoxyethyl acetate 255.59
    2-ethylhexyl acetate 227.47
    1,2,4-trichlorobenzene 277.15
    4-methylpyridine 289.72
    dibutyl ether 208.12
    2,6-dimethyl-4-heptanol 139.79
    DEF 202.47
    dimethyl isosorbide 363.34
    tetrachloroethylene 283.19
    eugenol 189.8
    triacetin 247.47
    span 80 225.89
    1,4-butanediol 52.96
    1,1-dichloroethane 303.56
    2-methyl-1-pentanol 154.09
    methyl formate 65.66
    2-methyl-1-butanol 154.88
    n-decane 54.51
    butyronitrile 174.82
    3,7-dimethyl-1-octanol 163.52
    1-chlorooctane 129.19
    1-chlorotetradecane 64.86
    n-nonane 56.88
    undecane 40.23
    tert-butylcyclohexane 62.97
    cyclooctane 55.78
    cyclopentanol 197.49
    tetrahydropyran 393.71
    tert-amyl methyl ether 217.2
    2,5,8-trioxanonane 343.52
    1-hexene 142.77
    2-isopropoxyethanol 164.23
    2,2,2-trifluoroethanol 73.57
    methyl butyrate 174.25

    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