1-Bromo-2-methylpropane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    78-77-3

    Molecular formula
    C4H9Br

    SMILES
    CC(C)CBr

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Cheesy 49.25%
    Fermented 47.84%
    Ethereal 44.16%
    Solvent 40.83%
    Sweet 39.01%
    Fishy 38.51%
    Alcoholic 35.97%
    Oily 35.9%
    Pungent 35.18%
    Fresh 33.69%

     

    Flavor
    Fishy 44.1%
    Meaty 33.35%
    Sulfurous 32.38%
    Ammoniacal 30.53%
    Onion 30.29%
    Ammonia 25.49%
    Sulfury 24.7%
    Glue 24.3%
    Bloody 23.86%
    Yeasty 22.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.03 (neutral)

    Molecular weight
    137.02 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    89°C

    Flash point

    • 13.18 ˚C est.

  • Synonyms

    • 1-Bromo-2-methylpropane
    • 78-77-3
    • ISOBUTYL BROMIDE
    • iso-Butyl bromide
    • Propane, 1-bromo-2-methyl-
    • i-Butyl bromide
    • CCRIS 349
    • NSC 8416
    • EINECS 201-141-2
    • UNII-5OEC0BW987
    • 5OEC0BW987
    • iso-C4H9Br
    • DTXSID1052539
    • AI3-18130
    • NSC-8416
    • ISOBUTYL BROMIDE [MI]
    • DTXCID2031112
    • EC 201-141-2
    • UN 2342
    • 2Methylpropyl bromide
    • Propane, 1bromo2methyl
    • RefChem:75081
    • UN2342
    • HLVFKOKELQSXIQ-UHFFFAOYSA-N
    • InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H
    • 1-Bromo-2-methyl-propane
    • MFCD00000217
    • Bromoacetaldehydedimethylacetal
    • Bromoisobutane
    • 2-methylpropyl bromide
    • isobutylbromid
    • isobutylbromide
    • i-butylbromide
    • iso-butylbromide
    • isobutyl-bromide
    • i-BuBr
    • 1-Methyl-2-propyl Bromide; 2-Methylpropyl Bromide; Bromoisobutane; Isobutyl Bromide; NSC 8416; iso-Butyl Bromide
    • 2-methylbromopropane
    • 2-methylpropylbromide
    • 2-methyl bromopropane
    • 1-bromo-2methylpropane
    • 1-bromo-2-methylpropan
    • l-bromo-2-methylpropane
    • 3-bromo-2-methylpropane
    • 1 -bromo-2-methylpropane
    • 1-bromo 2-methyl propane
    • 1-bromo-2-methyl propane
    • SCHEMBL7399
    • SCHEMBL245561
    • SCHEMBL473764
    • CHEMBL346532
    • SCHEMBL1489743
    • SCHEMBL4730315
    • SCHEMBL27826832
    • SCHEMBL28138407
    • 1-Bromo-2-methylpropane, 99%
    • WLN: E1Y1&1
    • NSC8416
    • BB_SC-12386
    • Tox21_303878
    • BBL036259
    • SBB059932
    • STL264117
    • AKOS000118762
    • PB48146
    • CAS-78-77-3
    • NCGC00357138-01
    • VS-13394
    • A9430
    • B0616
    • NS00006245
    • ST51046199
    • EN300-19287
    • P19652
    • Q15632844
    • 1-bromo-2-methylpropane(Discontinued,See C4X-107244)
    • F1908-0100
    • 78-77-3

  • Applications

    1-Bromo-2-methylpropane (CAS 78-77-3) is a primary alkyl bromide widely used as an alkylating agent and a synthetic building block in chemical manufacturing. In practice, it is used to install the isobutyl moiety into molecules via SN2, enabling the preparation of isobutyl alcohol (via hydrolysis) and a range of isobutyl esters and ethers that serve as solvents, fragrance ingredients, and coating components. It also serves as an intermediate in the synthesis of pharmaceutical and agrochemical compounds. In polymer and coatings chemistry, it can be used to introduce isobutyl functionality into resins or to influence polymerization pathways. As a reactive intermediate, it is handled under proper safety controls and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.06
    methanol 52.65
    isopropanol 78.48
    water 0.37
    ethyl acetate 105.54
    n-propanol 85.66
    acetone 152.12
    n-butanol 103.9
    acetonitrile 67.16
    DMF 94.24
    toluene 118.75
    isobutanol 80.34
    1,4-dioxane 205.51
    methyl acetate 95.7
    THF 369.06
    2-butanone 154.1
    n-pentanol 84.4
    sec-butanol 95.11
    n-hexane 81.74
    ethylene glycol 18.16
    NMP 214.35
    cyclohexane 158.97
    DMSO 146.94
    n-butyl acetate 208.1
    n-octanol 102.76
    chloroform 318.46
    n-propyl acetate 105.78
    acetic acid 95.74
    dichloromethane 216.66
    cyclohexanone 293.84
    propylene glycol 31.45
    isopropyl acetate 97.07
    DMAc 116.5
    2-ethoxyethanol 84.49
    isopentanol 97.7
    n-heptane 146.46
    ethyl formate 60.08
    1,2-dichloroethane 141.1
    n-hexanol 169.92
    2-methoxyethanol 99.08
    isobutyl acetate 95.17
    tetrachloromethane 118.87
    n-pentyl acetate 135.99
    transcutol 335.1
    n-heptanol 103.42
    ethylbenzene 81.14
    MIBK 114.8
    2-propoxyethanol 157.44
    tert-butanol 131.7
    MTBE 141.23
    2-butoxyethanol 128.24
    propionic acid 79.2
    o-xylene 104.56
    formic acid 17.56
    diethyl ether 131.97
    m-xylene 97.12
    p-xylene 114.42
    chlorobenzene 142.45
    dimethyl carbonate 34.51
    n-octane 50.58
    formamide 23.15
    cyclopentanone 298.71
    2-pentanone 145.78
    anisole 116.06
    cyclopentyl methyl ether 228.1
    gamma-butyrolactone 226.46
    1-methoxy-2-propanol 95.68
    pyridine 183.89
    3-pentanone 125.02
    furfural 200.45
    n-dodecane 33.53
    diethylene glycol 94.39
    diisopropyl ether 79.4
    tert-amyl alcohol 131.69
    acetylacetone 141.79
    n-hexadecane 37.73
    acetophenone 130.01
    methyl propionate 78.51
    isopentyl acetate 203.12
    trichloroethylene 268.68
    n-nonanol 97.01
    cyclohexanol 167.59
    benzyl alcohol 86.53
    2-ethylhexanol 153.27
    isooctanol 90.03
    dipropyl ether 199.92
    1,2-dichlorobenzene 138.75
    ethyl lactate 53.83
    propylene carbonate 150.58
    n-methylformamide 43.89
    2-pentanol 93.94
    n-pentane 74.06
    1-propoxy-2-propanol 183.26
    1-methoxy-2-propyl acetate 156.72
    2-(2-methoxypropoxy) propanol 145.61
    mesitylene 83.54
    ε-caprolactone 217.8
    p-cymene 119.14
    epichlorohydrin 209.82
    1,1,1-trichloroethane 228.8
    2-aminoethanol 36.32
    morpholine-4-carbaldehyde 173.21
    sulfolane 310.44
    2,2,4-trimethylpentane 50.37
    2-methyltetrahydrofuran 308.27
    n-hexyl acetate 166.14
    isooctane 39.84
    2-(2-butoxyethoxy)ethanol 178.18
    sec-butyl acetate 95.9
    tert-butyl acetate 138.35
    decalin 66.32
    glycerin 42.55
    diglyme 262.92
    acrylic acid 68.05
    isopropyl myristate 97.12
    n-butyric acid 119.62
    acetyl acetate 86.8
    di(2-ethylhexyl) phthalate 83.19
    ethyl propionate 87.54
    nitromethane 96.32
    1,2-diethoxyethane 189.75
    benzonitrile 116.86
    trioctyl phosphate 66.76
    1-bromopropane 146.01
    gamma-valerolactone 250.87
    n-decanol 78.72
    triethyl phosphate 87.6
    4-methyl-2-pentanol 72.04
    propionitrile 76.9
    vinylene carbonate 114.86
    1,1,2-trichlorotrifluoroethane 162.78
    DMS 92.54
    cumene 72.06
    2-octanol 86.17
    2-hexanone 135.71
    octyl acetate 110.14
    limonene 184.82
    1,2-dimethoxyethane 154.38
    ethyl orthosilicate 93.4
    tributyl phosphate 75.92
    diacetone alcohol 148.7
    N,N-dimethylaniline 98.08
    acrylonitrile 72.69
    aniline 111.02
    1,3-propanediol 57.31
    bromobenzene 153.82
    dibromomethane 204.79
    1,1,2,2-tetrachloroethane 244.54
    2-methyl-cyclohexyl acetate 158.95
    tetrabutyl urea 98.28
    diisobutyl methanol 121.38
    2-phenylethanol 127.6
    styrene 93.01
    dioctyl adipate 124.3
    dimethyl sulfate 62.94
    ethyl butyrate 157.29
    methyl lactate 47.77
    butyl lactate 100.75
    diethyl carbonate 96.74
    propanediol butyl ether 111.89
    triethyl orthoformate 127.78
    p-tert-butyltoluene 126.32
    methyl 4-tert-butylbenzoate 145.58
    morpholine 202.09
    tert-butylamine 108.63
    n-dodecanol 68.35
    dimethoxymethane 79.16
    ethylene carbonate 99.06
    cyrene 134.7
    2-ethoxyethyl acetate 135.93
    2-ethylhexyl acetate 190.78
    1,2,4-trichlorobenzene 176.71
    4-methylpyridine 168.64
    dibutyl ether 152.91
    2,6-dimethyl-4-heptanol 121.38
    DEF 121.76
    dimethyl isosorbide 240.1
    tetrachloroethylene 187.35
    eugenol 123.74
    triacetin 146.61
    span 80 164.0
    1,4-butanediol 32.75
    1,1-dichloroethane 166.02
    2-methyl-1-pentanol 93.69
    methyl formate 39.12
    2-methyl-1-butanol 95.43
    n-decane 50.96
    butyronitrile 96.65
    3,7-dimethyl-1-octanol 120.9
    1-chlorooctane 105.1
    1-chlorotetradecane 56.51
    n-nonane 55.67
    undecane 40.11
    tert-butylcyclohexane 64.04
    cyclooctane 70.63
    cyclopentanol 159.41
    tetrahydropyran 275.96
    tert-amyl methyl ether 135.49
    2,5,8-trioxanonane 211.76
    1-hexene 122.2
    2-isopropoxyethanol 87.99
    2,2,2-trifluoroethanol 39.91
    methyl butyrate 109.75

    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