Ethyl 6-bromohexanoate

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  • Identifiers

    CAS number
    25542-62-5

    Molecular formula
    C8H15BrO2

    SMILES
    CCOC(=O)CCCCCBr

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 80.61%
    Fatty 40.89%
    Sweet 37.54%
    Oily 36.83%
    Winey 32.5%
    Pineapple 32.04%
    Waxy 31.57%
    Grape 30.31%
    Fresh 29.83%
    Tropical 29.22%

     

    Flavor
    Fruity 83.76%
    Pineapple 51.55%
    Tropical 48.79%
    Sweet 36.76%
    Waxy 36.14%
    Fruit 33.47%
    Floral 33.34%
    Grape 33.06%
    Berry 32.97%
    Wine 31.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.17 (weak base)

    Molecular weight
    223.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 87.19 ˚C est.

  • Synonyms

    • Ethyl 6-bromohexanoate
    • 25542-62-5
    • Hexanoic acid, 6-bromo-, ethyl ester
    • Ethyl .omega.-bromocaproate
    • EINECS 247-085-2
    • AI3-36603
    • DXBULVYHTICWKT-UHFFFAOYSA-
    • DTXSID60180236
    • 6-Bromohexanoic acid, ethyl ester
    • Ethyl omega-bromocaproate
    • RefChem:138841
    • DTXCID70102727
    • 247-085-2
    • DXBULVYHTICWKT-UHFFFAOYSA-N
    • InChI=1/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3
    • 6-Bromohexanoic acid ethyl ester
    • Ethyl 6-Bromocaproate
    • MFCD00000270
    • 6-Bromocaproic Acid Ethyl Ester
    • Ethyl 6-bromocapronate
    • Ethyl-6-bromohexanoate
    • 6-bromo-hexanoic acid ethyl ester
    • ethyl 6bromohexanoate
    • ethyl 6- bromohexanoate
    • ethyl 6-bromo-hexanoate
    • ethyl-6-bromo-hexanoate
    • 4VRN6V4YXD
    • SCHEMBL47126
    • Ethyl 6-bromohexanoate, 99%
    • 6-bromo-hexaanoic acid ethyl ester
    • STR06878
    • SBB006556
    • AKOS015915269
    • CS-W022710
    • FB76427
    • HY-W041970
    • epsilon-Bromo-caproic acid, ethyl ester
    • BP-31061
    • DB-046723
    • NS00027912
    • EN300-75633
    • F239007
    • 25542-62-5

  • Applications

    Ethyl 6-bromohexanoate (CAS 25542-62-5) is a brominated alkyl ester that functions primarily as a versatile intermediate in organic synthesis, providing a reactive bromide handle for SN2 substitutions and chain extension. In industrial manufacturing, it serves as a building block for pharmaceutical and agrochemical intermediates, enabling subsequent transformations to access more complex targets. In polymer and materials chemistry, it is used as a precursor for functionalized monomers and crosslinkable linkers that can be incorporated into coatings, adhesives, and resins. It also finds use in specialty chemical R&D as a synthetic building block for further functionalization. Overall, it acts as a reactive intermediate across multiple sectors, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 702.98
    methanol 802.84
    isopropanol 576.91
    water 2.13
    ethyl acetate 529.1
    n-propanol 532.59
    acetone 1316.3
    n-butanol 494.91
    acetonitrile 652.03
    DMF 1518.0
    toluene 403.21
    isobutanol 440.58
    1,4-dioxane 1242.31
    methyl acetate 510.92
    THF 1425.43
    2-butanone 686.91
    n-pentanol 437.84
    sec-butanol 470.91
    n-hexane 72.55
    ethylene glycol 169.4
    NMP 1367.9
    cyclohexane 196.3
    DMSO 2297.53
    n-butyl acetate 485.42
    n-octanol 226.35
    chloroform 1981.26
    n-propyl acetate 456.49
    acetic acid 1181.76
    dichloromethane 1893.54
    cyclohexanone 1319.87
    propylene glycol 205.72
    isopropyl acetate 353.16
    DMAc 1073.63
    2-ethoxyethanol 676.51
    isopentanol 424.44
    n-heptane 58.22
    ethyl formate 420.4
    1,2-dichloroethane 1122.8
    n-hexanol 354.41
    2-methoxyethanol 889.88
    isobutyl acetate 305.58
    tetrachloromethane 268.81
    n-pentyl acetate 370.11
    transcutol 1688.97
    n-heptanol 178.68
    ethylbenzene 228.47
    MIBK 371.73
    2-propoxyethanol 586.74
    tert-butanol 663.72
    MTBE 455.34
    2-butoxyethanol 354.52
    propionic acid 495.91
    o-xylene 278.1
    formic acid 311.32
    diethyl ether 500.1
    m-xylene 279.58
    p-xylene 342.12
    chlorobenzene 604.08
    dimethyl carbonate 187.37
    n-octane 31.67
    formamide 445.98
    cyclopentanone 1303.22
    2-pentanone 610.89
    anisole 462.53
    cyclopentyl methyl ether 659.84
    gamma-butyrolactone 1285.75
    1-methoxy-2-propanol 627.15
    pyridine 1090.68
    3-pentanone 443.76
    furfural 1281.52
    n-dodecane 30.82
    diethylene glycol 505.6
    diisopropyl ether 162.74
    tert-amyl alcohol 504.03
    acetylacetone 804.09
    n-hexadecane 35.6
    acetophenone 540.2
    methyl propionate 381.01
    isopentyl acetate 406.43
    trichloroethylene 1950.84
    n-nonanol 198.27
    cyclohexanol 670.96
    benzyl alcohol 470.77
    2-ethylhexanol 239.03
    isooctanol 159.21
    dipropyl ether 270.12
    1,2-dichlorobenzene 545.35
    ethyl lactate 215.44
    propylene carbonate 654.09
    n-methylformamide 593.79
    2-pentanol 331.6
    n-pentane 69.61
    1-propoxy-2-propanol 418.74
    1-methoxy-2-propyl acetate 448.37
    2-(2-methoxypropoxy) propanol 396.95
    mesitylene 190.02
    ε-caprolactone 948.37
    p-cymene 150.99
    epichlorohydrin 1229.54
    1,1,1-trichloroethane 949.5
    2-aminoethanol 316.49
    morpholine-4-carbaldehyde 1289.92
    sulfolane 1696.06
    2,2,4-trimethylpentane 42.37
    2-methyltetrahydrofuran 1000.31
    n-hexyl acetate 466.07
    isooctane 30.15
    2-(2-butoxyethoxy)ethanol 559.68
    sec-butyl acetate 290.94
    tert-butyl acetate 410.17
    decalin 81.58
    glycerin 307.89
    diglyme 1040.83
    acrylic acid 474.53
    isopropyl myristate 186.55
    n-butyric acid 685.48
    acetyl acetate 411.3
    di(2-ethylhexyl) phthalate 199.48
    ethyl propionate 331.51
    nitromethane 1510.64
    1,2-diethoxyethane 608.45
    benzonitrile 667.48
    trioctyl phosphate 140.61
    1-bromopropane 590.79
    gamma-valerolactone 1488.6
    n-decanol 148.46
    triethyl phosphate 186.87
    4-methyl-2-pentanol 202.16
    propionitrile 445.23
    vinylene carbonate 667.96
    1,1,2-trichlorotrifluoroethane 905.53
    DMS 354.92
    cumene 160.68
    2-octanol 159.1
    2-hexanone 503.02
    octyl acetate 227.78
    limonene 232.98
    1,2-dimethoxyethane 1089.95
    ethyl orthosilicate 181.93
    tributyl phosphate 179.01
    diacetone alcohol 452.91
    N,N-dimethylaniline 353.46
    acrylonitrile 594.89
    aniline 463.0
    1,3-propanediol 476.46
    bromobenzene 669.96
    dibromomethane 1268.61
    1,1,2,2-tetrachloroethane 1504.76
    2-methyl-cyclohexyl acetate 299.22
    tetrabutyl urea 254.56
    diisobutyl methanol 161.53
    2-phenylethanol 356.71
    styrene 337.17
    dioctyl adipate 283.98
    dimethyl sulfate 401.41
    ethyl butyrate 332.69
    methyl lactate 235.72
    butyl lactate 286.98
    diethyl carbonate 231.95
    propanediol butyl ether 407.94
    triethyl orthoformate 243.86
    p-tert-butyltoluene 141.46
    methyl 4-tert-butylbenzoate 361.08
    morpholine 1306.79
    tert-butylamine 392.72
    n-dodecanol 120.8
    dimethoxymethane 622.15
    ethylene carbonate 521.54
    cyrene 455.89
    2-ethoxyethyl acetate 486.25
    2-ethylhexyl acetate 331.49
    1,2,4-trichlorobenzene 650.21
    4-methylpyridine 1009.84
    dibutyl ether 304.24
    2,6-dimethyl-4-heptanol 161.53
    DEF 699.76
    dimethyl isosorbide 648.33
    tetrachloroethylene 1048.19
    eugenol 387.27
    triacetin 460.89
    span 80 426.3
    1,4-butanediol 265.48
    1,1-dichloroethane 1006.59
    2-methyl-1-pentanol 378.97
    methyl formate 458.06
    2-methyl-1-butanol 393.32
    n-decane 47.09
    butyronitrile 526.78
    3,7-dimethyl-1-octanol 224.4
    1-chlorooctane 174.53
    1-chlorotetradecane 81.04
    n-nonane 45.61
    undecane 36.57
    tert-butylcyclohexane 65.44
    cyclooctane 52.73
    cyclopentanol 686.32
    tetrahydropyran 1132.22
    tert-amyl methyl ether 353.82
    2,5,8-trioxanonane 713.49
    1-hexene 262.64
    2-isopropoxyethanol 469.5
    2,2,2-trifluoroethanol 334.64
    methyl butyrate 507.48

    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