14-Bromopentadecanoic acid

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  • Identifiers

    CAS number
    74685-41-9

    Molecular formula
    C15H29BrO2

    SMILES
    CC(CCCCCCCCCCCCC(=O)O)Br

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.09%
    Fatty 64.73%
    Oily 34.3%
    Odorless 28.26%
    Meaty 28.17%
    Citrus 25.96%
    Woody 24.68%
    Savory 24.47%
    Creamy 23.65%
    Milky 23.64%

     

    Flavor
    Fatty 39.21%
    Mild 34.21%
    Bland 32.15%
    Odorless 31.73%
    Waxy 31.58%
    Faint 30.46%
    Fat 24.96%
    Slightly waxy 24.47%
    Bay oil 23.01%
    Delicate 21.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    6.92 (neutral)

    Molecular weight
    321.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Flash point

    • 174.88 ˚C est.

  • Synonyms

    • 14-Bromopentadecanoic acid
    • Pentadecanoic acid, 14-bromo-
    • 74685-41-9
    • 14-Bromopentadecanoic acid #
    • SCHEMBL23829849
    • DTXSID80337669
    • WRTRWKSMUPMRHR-UHFFFAOYSA-N
    • 14-Bromopentadecanoic acid

  • Applications

    14-Bromopentadecanoic acid (CAS 74685-41-9) is principally used as a reactive intermediate for the synthesis of brominated fatty acid derivatives in specialty chemicals. In industrial manufacturing, it serves as a building block for brominated surfactants and coupling/functionalizing agents used in polymers and coatings, as well as crosslinkers or reactive plasticizers for adhesives and inks. It can be converted to esters and other functional lipids to impart surface activity and adhesion in coatings, lubricants, and related formulations. Additionally, it may serve as a precursor in the synthesis of broader specialty chemicals, including potential agrochemical or pharmaceutical intermediates, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.92
    methanol 19.26
    isopropanol 40.57
    water 0.01
    ethyl acetate 83.5
    n-propanol 38.82
    acetone 77.27
    n-butanol 44.75
    acetonitrile 10.92
    DMF 187.78
    toluene 52.08
    isobutanol 40.32
    1,4-dioxane 133.26
    methyl acetate 51.33
    THF 532.87
    2-butanone 101.48
    n-pentanol 56.62
    sec-butanol 48.84
    n-hexane 12.01
    ethylene glycol 2.48
    NMP 402.86
    cyclohexane 19.35
    DMSO 276.09
    n-butyl acetate 151.32
    n-octanol 54.9
    chloroform 207.99
    n-propyl acetate 135.89
    acetic acid 37.83
    dichloromethane 175.92
    cyclohexanone 308.73
    propylene glycol 12.96
    isopropyl acetate 109.7
    DMAc 294.68
    2-ethoxyethanol 111.43
    isopentanol 63.19
    n-heptane 11.93
    ethyl formate 40.8
    1,2-dichloroethane 137.86
    n-hexanol 62.44
    2-methoxyethanol 101.92
    isobutyl acetate 122.61
    tetrachloromethane 34.6
    n-pentyl acetate 176.02
    transcutol 507.04
    n-heptanol 52.06
    ethylbenzene 47.4
    MIBK 129.48
    2-propoxyethanol 147.39
    tert-butanol 86.66
    MTBE 115.0
    2-butoxyethanol 126.07
    propionic acid 37.88
    o-xylene 55.68
    formic acid 5.9
    diethyl ether 61.97
    m-xylene 58.37
    p-xylene 61.53
    chlorobenzene 77.04
    dimethyl carbonate 25.56
    n-octane 6.5
    formamide 11.45
    cyclopentanone 380.24
    2-pentanone 120.61
    anisole 110.69
    cyclopentyl methyl ether 230.09
    gamma-butyrolactone 301.72
    1-methoxy-2-propanol 137.17
    pyridine 113.85
    3-pentanone 81.04
    furfural 230.15
    n-dodecane 4.45
    diethylene glycol 62.66
    diisopropyl ether 45.48
    tert-amyl alcohol 88.83
    acetylacetone 179.5
    n-hexadecane 5.44
    acetophenone 149.05
    methyl propionate 66.92
    isopentyl acetate 174.8
    trichloroethylene 275.26
    n-nonanol 56.47
    cyclohexanol 87.7
    benzyl alcohol 79.32
    2-ethylhexanol 64.47
    isooctanol 56.77
    dipropyl ether 94.93
    1,2-dichlorobenzene 101.21
    ethyl lactate 64.64
    propylene carbonate 171.96
    n-methylformamide 34.32
    2-pentanol 46.58
    n-pentane 6.08
    1-propoxy-2-propanol 153.61
    1-methoxy-2-propyl acetate 183.88
    2-(2-methoxypropoxy) propanol 160.16
    mesitylene 46.95
    ε-caprolactone 277.61
    p-cymene 46.45
    epichlorohydrin 314.62
    1,1,1-trichloroethane 152.47
    2-aminoethanol 13.73
    morpholine-4-carbaldehyde 304.53
    sulfolane 628.79
    2,2,4-trimethylpentane 10.01
    2-methyltetrahydrofuran 297.53
    n-hexyl acetate 179.16
    isooctane 7.54
    2-(2-butoxyethoxy)ethanol 194.86
    sec-butyl acetate 125.03
    tert-butyl acetate 196.53
    decalin 18.74
    glycerin 21.32
    diglyme 355.25
    acrylic acid 25.38
    isopropyl myristate 75.53
    n-butyric acid 92.47
    acetyl acetate 63.75
    di(2-ethylhexyl) phthalate 69.06
    ethyl propionate 97.48
    nitromethane 69.25
    1,2-diethoxyethane 193.94
    benzonitrile 73.65
    trioctyl phosphate 49.07
    1-bromopropane 87.75
    gamma-valerolactone 446.58
    n-decanol 39.45
    triethyl phosphate 78.66
    4-methyl-2-pentanol 46.45
    propionitrile 19.26
    vinylene carbonate 108.57
    1,1,2-trichlorotrifluoroethane 219.22
    DMS 100.63
    cumene 42.06
    2-octanol 46.99
    2-hexanone 144.43
    octyl acetate 85.82
    limonene 76.62
    1,2-dimethoxyethane 236.94
    ethyl orthosilicate 82.4
    tributyl phosphate 65.68
    diacetone alcohol 197.62
    N,N-dimethylaniline 94.96
    acrylonitrile 21.76
    aniline 55.32
    1,3-propanediol 33.0
    bromobenzene 88.43
    dibromomethane 129.42
    1,1,2,2-tetrachloroethane 298.75
    2-methyl-cyclohexyl acetate 159.98
    tetrabutyl urea 99.04
    diisobutyl methanol 53.43
    2-phenylethanol 87.59
    styrene 52.36
    dioctyl adipate 125.54
    dimethyl sulfate 88.81
    ethyl butyrate 135.46
    methyl lactate 48.79
    butyl lactate 123.14
    diethyl carbonate 71.03
    propanediol butyl ether 121.79
    triethyl orthoformate 119.32
    p-tert-butyltoluene 49.41
    methyl 4-tert-butylbenzoate 167.28
    morpholine 201.66
    tert-butylamine 54.1
    n-dodecanol 28.67
    dimethoxymethane 104.56
    ethylene carbonate 96.32
    cyrene 181.72
    2-ethoxyethyl acetate 202.23
    2-ethylhexyl acetate 151.15
    1,2,4-trichlorobenzene 138.16
    4-methylpyridine 140.16
    dibutyl ether 104.55
    2,6-dimethyl-4-heptanol 53.43
    DEF 146.24
    dimethyl isosorbide 340.46
    tetrachloroethylene 155.46
    eugenol 137.83
    triacetin 204.17
    span 80 159.33
    1,4-butanediol 17.97
    1,1-dichloroethane 118.09
    2-methyl-1-pentanol 68.89
    methyl formate 24.87
    2-methyl-1-butanol 53.08
    n-decane 9.66
    butyronitrile 36.63
    3,7-dimethyl-1-octanol 69.01
    1-chlorooctane 51.9
    1-chlorotetradecane 17.66
    n-nonane 8.92
    undecane 6.09
    tert-butylcyclohexane 18.18
    cyclooctane 8.5
    cyclopentanol 107.5
    tetrahydropyran 190.37
    tert-amyl methyl ether 114.47
    2,5,8-trioxanonane 243.23
    1-hexene 40.69
    2-isopropoxyethanol 116.5
    2,2,2-trifluoroethanol 17.29
    methyl butyrate 142.48

    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