2-Bromooctanoic acid

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  • Identifiers

    CAS number
    2623-82-7

    Molecular formula
    C8H15BrO2

    SMILES
    CCCCCCC(C(=O)O)Br

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fatty 44.7%
    Herbal 39.93%
    Oily 37.68%
    Cheesy 37.25%
    Green 36.93%
    Waxy 36.03%
    Citrus 34.55%
    Fresh 33.33%
    Dairy 32.36%
    Milky 32.32%

     

    Flavor
    Odorless 41.79%
    Mild 33.94%
    Bland 29.83%
    Fatty 21.66%
    Faint 21.2%
    Slightly waxy 21.07%
    Bay oil 21.07%
    Cultured dairy 20.83%
    Syrup 19.85%
    Skunky 19.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.01 (neutral)

    Molecular weight
    223.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 114.29 ˚C est.

  • Synonyms

    • 2-Bromooctanoic acid
    • 2623-82-7
    • Octanoic acid, 2-bromo-
    • 2-Bromo-n-octanoic Acid
    • 2-BROMOOCTANOICACID
    • 2-Bromocaprylic acid
    • 70610-87-6
    • EINECS 220-079-7
    • DTXSID50949096
    • sodium bromooctanoate
    • MFCD00004219
    • 2-bromo-octanoic acid
    • 2-Bromooctanoic acid #
    • Octanoic acid,2-bromo-
    • 2-Bromooctanoic acid, 97%
    • SCHEMBL375050
    • DTXCID301377299
    • AKOS015893911
    • Octanoic acid, 2-bromo-, (+/-)-
    • Octanoic acid, 2-bromo-, (A+/-)-
    • BS-43962
    • DB-046905
    • B0627
    • CS-0328199
    • NS00047992
    • EN300-7721254
    • InChI=1/C8H15BrO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11
    • 220-079-7

  • Applications

    2-Bromooctanoic acid (CAS 2623-82-7) is used primarily as an organic synthesis intermediate, enabling formation of esters, amides, and other derivatives via the reactive 2-bromo functionality; in industrial manufacturing it serves as a building block for functionalized fatty acid derivatives and for the preparation of specialty surfactants and polymer additives; in polymer and plastics chemistry it is employed as a precursor or co-monomer to introduce carboxyl functionality and other reactive sites; in coatings and inks it provides a reactive carboxyl-containing building block to improve adhesion, compatibility, and crosslinking potential; in pharmaceutical and agrochemical research it is used as a starting point for the synthesis of intermediates and candidate compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.55
    methanol 248.86
    isopropanol 273.37
    water 0.16
    ethyl acetate 298.06
    n-propanol 271.28
    acetone 626.68
    n-butanol 253.36
    acetonitrile 101.46
    DMF 917.46
    toluene 176.59
    isobutanol 216.29
    1,4-dioxane 496.56
    methyl acetate 243.08
    THF 1391.95
    2-butanone 423.73
    n-pentanol 234.91
    sec-butanol 244.11
    n-hexane 26.51
    ethylene glycol 72.72
    NMP 1102.9
    cyclohexane 34.54
    DMSO 1216.03
    n-butyl acetate 348.65
    n-octanol 99.26
    chloroform 387.87
    n-propyl acetate 271.11
    acetic acid 314.99
    dichloromethane 315.76
    cyclohexanone 730.8
    propylene glycol 125.95
    isopropyl acetate 271.86
    DMAc 653.08
    2-ethoxyethanol 361.24
    isopentanol 252.66
    n-heptane 16.56
    ethyl formate 157.55
    1,2-dichloroethane 364.89
    n-hexanol 249.56
    2-methoxyethanol 482.58
    isobutyl acetate 206.61
    tetrachloromethane 84.51
    n-pentyl acetate 245.98
    transcutol 1152.09
    n-heptanol 121.54
    ethylbenzene 91.85
    MIBK 317.61
    2-propoxyethanol 413.1
    tert-butanol 400.45
    MTBE 363.12
    2-butoxyethanol 245.48
    propionic acid 224.15
    o-xylene 133.49
    formic acid 102.84
    diethyl ether 250.84
    m-xylene 157.84
    p-xylene 117.04
    chlorobenzene 218.88
    dimethyl carbonate 117.04
    n-octane 6.74
    formamide 168.55
    cyclopentanone 1062.84
    2-pentanone 448.26
    anisole 228.95
    cyclopentyl methyl ether 608.28
    gamma-butyrolactone 852.74
    1-methoxy-2-propanol 463.04
    pyridine 408.53
    3-pentanone 288.76
    furfural 638.64
    n-dodecane 5.35
    diethylene glycol 308.74
    diisopropyl ether 120.02
    tert-amyl alcohol 336.3
    acetylacetone 528.15
    n-hexadecane 6.48
    acetophenone 268.29
    methyl propionate 258.15
    isopentyl acetate 343.12
    trichloroethylene 735.55
    n-nonanol 93.66
    cyclohexanol 308.5
    benzyl alcohol 222.33
    2-ethylhexanol 151.47
    isooctanol 108.9
    dipropyl ether 147.11
    1,2-dichlorobenzene 218.75
    ethyl lactate 132.34
    propylene carbonate 407.91
    n-methylformamide 282.95
    2-pentanol 215.93
    n-pentane 21.33
    1-propoxy-2-propanol 335.9
    1-methoxy-2-propyl acetate 396.07
    2-(2-methoxypropoxy) propanol 263.8
    mesitylene 113.27
    ε-caprolactone 583.02
    p-cymene 76.49
    epichlorohydrin 792.13
    1,1,1-trichloroethane 338.94
    2-aminoethanol 169.79
    morpholine-4-carbaldehyde 746.77
    sulfolane 1317.88
    2,2,4-trimethylpentane 19.95
    2-methyltetrahydrofuran 767.28
    n-hexyl acetate 274.18
    isooctane 18.2
    2-(2-butoxyethoxy)ethanol 368.28
    sec-butyl acetate 216.58
    tert-butyl acetate 397.93
    decalin 25.73
    glycerin 189.24
    diglyme 593.37
    acrylic acid 202.57
    isopropyl myristate 105.91
    n-butyric acid 332.37
    acetyl acetate 194.56
    di(2-ethylhexyl) phthalate 118.04
    ethyl propionate 194.44
    nitromethane 439.98
    1,2-diethoxyethane 339.33
    benzonitrile 214.4
    trioctyl phosphate 84.89
    1-bromopropane 162.03
    gamma-valerolactone 1015.45
    n-decanol 70.98
    triethyl phosphate 104.21
    4-methyl-2-pentanol 144.73
    propionitrile 119.56
    vinylene carbonate 306.41
    1,1,2-trichlorotrifluoroethane 525.09
    DMS 217.3
    cumene 74.5
    2-octanol 94.32
    2-hexanone 311.44
    octyl acetate 133.46
    limonene 120.34
    1,2-dimethoxyethane 495.44
    ethyl orthosilicate 106.19
    tributyl phosphate 106.44
    diacetone alcohol 480.01
    N,N-dimethylaniline 173.24
    acrylonitrile 158.11
    aniline 233.73
    1,3-propanediol 254.4
    bromobenzene 218.83
    dibromomethane 239.43
    1,1,2,2-tetrachloroethane 642.43
    2-methyl-cyclohexyl acetate 209.85
    tetrabutyl urea 145.52
    diisobutyl methanol 104.29
    2-phenylethanol 225.91
    styrene 115.96
    dioctyl adipate 174.34
    dimethyl sulfate 289.75
    ethyl butyrate 199.76
    methyl lactate 164.42
    butyl lactate 203.78
    diethyl carbonate 117.01
    propanediol butyl ether 281.91
    triethyl orthoformate 148.05
    p-tert-butyltoluene 83.8
    methyl 4-tert-butylbenzoate 226.44
    morpholine 672.48
    tert-butylamine 228.14
    n-dodecanol 53.78
    dimethoxymethane 412.99
    ethylene carbonate 258.9
    cyrene 308.83
    2-ethoxyethyl acetate 357.09
    2-ethylhexyl acetate 264.9
    1,2,4-trichlorobenzene 290.02
    4-methylpyridine 434.15
    dibutyl ether 120.72
    2,6-dimethyl-4-heptanol 104.29
    DEF 436.98
    dimethyl isosorbide 485.31
    tetrachloroethylene 417.79
    eugenol 224.85
    triacetin 256.51
    span 80 262.02
    1,4-butanediol 132.72
    1,1-dichloroethane 304.97
    2-methyl-1-pentanol 223.92
    methyl formate 190.86
    2-methyl-1-butanol 227.39
    n-decane 9.06
    butyronitrile 158.25
    3,7-dimethyl-1-octanol 121.91
    1-chlorooctane 61.46
    1-chlorotetradecane 23.97
    n-nonane 8.33
    undecane 6.65
    tert-butylcyclohexane 25.61
    cyclooctane 14.81
    cyclopentanol 406.31
    tetrahydropyran 559.17
    tert-amyl methyl ether 282.3
    2,5,8-trioxanonane 396.47
    1-hexene 103.23
    2-isopropoxyethanol 293.47
    2,2,2-trifluoroethanol 120.12
    methyl butyrate 271.21

    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