2-Bromopentane

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  • Identifiers

    CAS number
    107-81-3

    Molecular formula
    C5H11Br

    SMILES
    CCCC(C)Br

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fresh 42.88%
    Sweet 40.83%
    Green 40.21%
    Fruity 39.72%
    Citrus 37.14%
    Herbal 33.76%
    Cheesy 32.34%
    Oily 31.56%
    Fatty 30.71%
    Floral 29.92%

     

    Flavor
    Fishy 36.84%
    Ammoniacal 33.38%
    Sulfurous 29.5%
    Meaty 28.47%
    Ammonia 27.58%
    Glue 23.28%
    Onion 22.76%
    Bloody 22.45%
    Skunky 21.92%
    Sulfury 21.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.22 (neutral)

    Molecular weight
    151.04 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -140 °F (USCG, 1999)

    Boiling point

    • 243 °F at 760 mmHg (USCG, 1999)

    Flash point

    • 23.03 ˚C est.
    • 69 °F (USCG, 1999)

  • Synonyms

    • 2-BROMOPENTANE
    • 107-81-3
    • Pentane, 2-bromo-
    • 2-Pentyl bromide
    • (+/-)-2-Bromopentane
    • NSC 7896
    • 130321-66-3
    • EINECS 203-521-3
    • UN2343
    • BRN 1718829
    • 1-methylbutyl bromide
    • MFCD00000160
    • sec-amyl bromide
    • DTXSID90870456
    • 4-01-00-00312 (Beilstein Handbook Reference)
    • UN 2343
    • 2-BROMOPENTANE, (FLAMMABLE LIQUID)
    • 2-BROMOPENTANE, [FLAMMABLE LIQUID]
    • 2Pentyl bromide
    • 2-bromo-pentane
    • 2-amyl bromide
    • Pentane, 2bromo
    • 2-bromanylpentane
    • 2-PENTYLBROMIDE
    • 2-Bromopentane, 95%
    • SCHEMBL83800
    • 2-Bromopentane (high purity)
    • (+-)-2-BROMOPENTANE
    • DTXCID10818178
    • NSC7896
    • WLN: EY3 & 1
    • (.+-.)-2-BROMOPENTANE
    • NSC-7896
    • BR1101
    • AKOS009157296
    • BS-22426
    • B0232
    • NS00041139
    • EN300-98886
    • 2-Bromopentane [UN2343] [Flammable liquid]
    • 2-Bromopentane, contains ~12% 3-Bromopentane
    • A801760
    • 203-521-3

  • Applications

    2-Bromopentane (CAS 107-81-3) is primarily used as an alkyl halide intermediate in organic synthesis, enabling installation of pentyl groups into molecules and serving as a building block for many alkylation reactions in industrial manufacturing. It is commonly employed as a starting material for the preparation of pharmaceutical and agrochemical intermediates, and as a precursor to brominated intermediates used in polymer and specialty material chemistry. In coatings and inks, it may be considered a route to reactive intermediates for surface-modifying compounds, while in fragrance and flavor chemistry it can act as a precursor for branched pentyl fragments that contribute to aroma profiles. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 722.1
    methanol 527.51
    isopropanol 548.28
    water 0.88
    ethyl acetate 777.07
    n-propanol 618.29
    acetone 1001.78
    n-butanol 735.9
    acetonitrile 482.09
    DMF 412.25
    toluene 640.67
    isobutanol 472.17
    1,4-dioxane 1441.03
    methyl acetate 576.97
    THF 2384.07
    2-butanone 862.55
    n-pentanol 510.59
    sec-butanol 573.67
    n-hexane 459.73
    ethylene glycol 87.04
    NMP 781.17
    cyclohexane 833.08
    DMSO 692.31
    n-butyl acetate 1353.25
    n-octanol 443.26
    chloroform 1427.02
    n-propyl acetate 555.4
    acetic acid 592.8
    dichloromethane 1143.53
    cyclohexanone 1574.21
    propylene glycol 145.21
    isopropyl acetate 544.7
    DMAc 423.8
    2-ethoxyethanol 493.93
    isopentanol 581.85
    n-heptane 801.06
    ethyl formate 373.15
    1,2-dichloroethane 741.92
    n-hexanol 1128.78
    2-methoxyethanol 617.83
    isobutyl acetate 441.64
    tetrachloromethane 507.68
    n-pentyl acetate 668.77
    transcutol 1618.7
    n-heptanol 453.09
    ethylbenzene 304.88
    MIBK 555.78
    2-propoxyethanol 1022.62
    tert-butanol 742.33
    MTBE 878.76
    2-butoxyethanol 539.64
    propionic acid 399.35
    o-xylene 383.22
    formic acid 106.96
    diethyl ether 1206.85
    m-xylene 440.0
    p-xylene 375.15
    chlorobenzene 618.93
    dimethyl carbonate 151.22
    n-octane 199.64
    formamide 128.22
    cyclopentanone 1372.73
    2-pentanone 917.53
    anisole 477.31
    cyclopentyl methyl ether 1343.94
    gamma-butyrolactone 1060.36
    1-methoxy-2-propanol 504.0
    pyridine 918.07
    3-pentanone 669.22
    furfural 843.53
    n-dodecane 113.56
    diethylene glycol 491.86
    diisopropyl ether 481.03
    tert-amyl alcohol 653.87
    acetylacetone 726.24
    n-hexadecane 129.79
    acetophenone 406.15
    methyl propionate 432.68
    isopentyl acetate 1010.73
    trichloroethylene 1143.0
    n-nonanol 387.31
    cyclohexanol 953.3
    benzyl alcohol 322.86
    2-ethylhexanol 820.74
    isooctanol 357.36
    dipropyl ether 1243.5
    1,2-dichlorobenzene 505.51
    ethyl lactate 192.47
    propylene carbonate 637.22
    n-methylformamide 230.52
    2-pentanol 573.74
    n-pentane 464.55
    1-propoxy-2-propanol 984.7
    1-methoxy-2-propyl acetate 796.72
    2-(2-methoxypropoxy) propanol 506.83
    mesitylene 332.92
    ε-caprolactone 1095.27
    p-cymene 387.35
    epichlorohydrin 1085.96
    1,1,1-trichloroethane 1018.35
    2-aminoethanol 187.95
    morpholine-4-carbaldehyde 809.46
    sulfolane 1093.42
    2,2,4-trimethylpentane 194.58
    2-methyltetrahydrofuran 1999.98
    n-hexyl acetate 786.24
    isooctane 167.02
    2-(2-butoxyethoxy)ethanol 692.29
    sec-butyl acetate 438.08
    tert-butyl acetate 689.07
    decalin 264.76
    glycerin 174.48
    diglyme 1072.03
    acrylic acid 283.83
    isopropyl myristate 365.44
    n-butyric acid 711.08
    acetyl acetate 478.73
    di(2-ethylhexyl) phthalate 285.81
    ethyl propionate 401.85
    nitromethane 612.87
    1,2-diethoxyethane 1097.79
    benzonitrile 457.03
    trioctyl phosphate 238.98
    1-bromopropane 844.02
    gamma-valerolactone 1307.77
    n-decanol 302.23
    triethyl phosphate 305.0
    4-methyl-2-pentanol 332.54
    propionitrile 435.71
    vinylene carbonate 476.71
    1,1,2-trichlorotrifluoroethane 576.09
    DMS 379.27
    cumene 223.08
    2-octanol 343.29
    2-hexanone 686.05
    octyl acetate 426.03
    limonene 770.41
    1,2-dimethoxyethane 829.1
    ethyl orthosilicate 330.77
    tributyl phosphate 300.61
    diacetone alcohol 602.9
    N,N-dimethylaniline 312.02
    acrylonitrile 348.35
    aniline 514.04
    1,3-propanediol 344.28
    bromobenzene 673.36
    dibromomethane 1037.21
    1,1,2,2-tetrachloroethane 955.34
    2-methyl-cyclohexyl acetate 625.34
    tetrabutyl urea 366.41
    diisobutyl methanol 467.05
    2-phenylethanol 516.99
    styrene 365.13
    dioctyl adipate 435.16
    dimethyl sulfate 217.61
    ethyl butyrate 758.5
    methyl lactate 188.79
    butyl lactate 379.47
    diethyl carbonate 408.78
    propanediol butyl ether 421.08
    triethyl orthoformate 555.7
    p-tert-butyltoluene 385.76
    methyl 4-tert-butylbenzoate 435.31
    morpholine 1414.84
    tert-butylamine 563.31
    n-dodecanol 250.39
    dimethoxymethane 464.52
    ethylene carbonate 458.79
    cyrene 407.65
    2-ethoxyethyl acetate 679.08
    2-ethylhexyl acetate 933.17
    1,2,4-trichlorobenzene 599.16
    4-methylpyridine 884.26
    dibutyl ether 773.91
    2,6-dimethyl-4-heptanol 467.05
    DEF 613.66
    dimethyl isosorbide 924.0
    tetrachloroethylene 705.44
    eugenol 369.29
    triacetin 547.93
    span 80 566.28
    1,4-butanediol 167.03
    1,1-dichloroethane 900.77
    2-methyl-1-pentanol 456.62
    methyl formate 199.62
    2-methyl-1-butanol 545.32
    n-decane 198.96
    butyronitrile 637.63
    3,7-dimethyl-1-octanol 493.84
    1-chlorooctane 442.31
    1-chlorotetradecane 197.48
    n-nonane 224.83
    undecane 141.31
    tert-butylcyclohexane 244.13
    cyclooctane 347.64
    cyclopentanol 878.62
    tetrahydropyran 1989.98
    tert-amyl methyl ether 727.78
    2,5,8-trioxanonane 791.01
    1-hexene 718.38
    2-isopropoxyethanol 450.45
    2,2,2-trifluoroethanol 183.58
    methyl butyrate 520.33

    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