6-Bromohexanoic acid

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  • Identifiers

    CAS number
    4224-70-8

    Molecular formula
    C6H11BrO2

    SMILES
    C(CCC(=O)O)CCBr

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Cheesy 55.41%
    Fatty 45.07%
    Meaty 37.51%
    Odorless 30.77%
    Savory 30.53%
    Sour 29.99%
    Dairy 28.72%
    Fishy 28.59%
    Waxy 28.22%
    Citrus 27.45%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    195.05 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point est.
    121.0 ˚C

  • Synonyms

    • 6-BROMOHEXANOIC ACID
    • 4224-70-8
    • 6-Bromocaproic acid
    • Hexanoic acid, 6-bromo-
    • 6-Bromo-n-caproic acid
    • 6-Bromo-hexanoic acid
    • MFCD00004422
    • EINECS 224-176-5
    • DTXSID5063366
    • CHEBI:60700
    • NVRVNSHHLPQGCU-UHFFFAOYSA-
    • 6-BROMO HEXANOICACID
    • 6-bromohexanoicacid
    • 6bromohexanoic acid
    • 6-bromo-hexanicacid
    • 6-bromo-caproic acid
    • 6-bromo hexanoic acid
    • SCHEMBL26051
    • 6-Bromohexanoic acid, 97%
    • DTXCID7040075
    • BBL012109
    • STL066901
    • AKOS000119443
    • CS-W007559
    • FB53771
    • GS-3146
    • BP-23568
    • 6-Bromocaproic Acid; ?-Bromohexanoic ?cid;
    • B1290
    • NS00031142
    • EN300-20313
    • 6-Bromohexanoic acid, purum, >=97.0% (AT)
    • F11242
    • Q27128436
    • F3310-0574
    • Z104477716
    • 224-176-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 195.59
    methanol 232.48
    isopropanol 139.74
    water 7.55
    ethyl acetate 71.11
    n-propanol 139.55
    acetone 230.39
    n-butanol 127.64
    acetonitrile 53.47
    DMF 573.24
    toluene 30.29
    isobutanol 104.49
    1,4-dioxane 185.95
    methyl acetate 82.56
    THF 406.42
    2-butanone 122.24
    n-pentanol 104.16
    sec-butanol 100.44
    n-hexane 4.49
    ethylene glycol 116.07
    NMP 467.89
    cyclohexane 7.42
    DMSO 700.98
    n-butyl acetate 79.48
    n-octanol 52.13
    chloroform 76.94
    n-propyl acetate 74.35
    acetic acid 234.51
    dichloromethane 74.97
    cyclohexanone 222.79
    propylene glycol 110.77
    isopropyl acetate 60.57
    DMAc 319.27
    2-ethoxyethanol 187.3
    isopentanol 106.39
    n-heptane 5.3
    ethyl formate 81.1
    1,2-dichloroethane 78.03
    n-hexanol 89.05
    2-methoxyethanol 316.29
    isobutyl acetate 56.28
    tetrachloromethane 16.18
    n-pentyl acetate 73.29
    transcutol 410.66
    n-heptanol 52.63
    ethylbenzene 21.97
    MIBK 84.97
    2-propoxyethanol 171.45
    tert-butanol 163.84
    MTBE 66.35
    2-butoxyethanol 119.73
    propionic acid 132.01
    o-xylene 35.06
    formic acid 148.26
    diethyl ether 49.35
    m-xylene 36.26
    p-xylene 28.88
    chlorobenzene 45.33
    dimethyl carbonate 52.8
    n-octane 2.52
    formamide 172.61
    cyclopentanone 321.42
    2-pentanone 117.76
    anisole 65.43
    cyclopentyl methyl ether 136.69
    gamma-butyrolactone 306.75
    1-methoxy-2-propanol 228.22
    pyridine 124.11
    3-pentanone 75.82
    furfural 288.61
    n-dodecane 2.76
    diethylene glycol 187.56
    diisopropyl ether 22.34
    tert-amyl alcohol 112.99
    acetylacetone 161.96
    n-hexadecane 3.09
    acetophenone 94.2
    methyl propionate 82.66
    isopentyl acetate 78.92
    trichloroethylene 147.2
    n-nonanol 47.19
    cyclohexanol 119.44
    benzyl alcohol 95.97
    2-ethylhexanol 50.94
    isooctanol 43.96
    dipropyl ether 40.77
    1,2-dichlorobenzene 52.44
    ethyl lactate 61.94
    propylene carbonate 147.86
    n-methylformamide 197.15
    2-pentanol 75.7
    n-pentane 4.8
    1-propoxy-2-propanol 127.64
    1-methoxy-2-propyl acetate 107.79
    2-(2-methoxypropoxy) propanol 123.63
    mesitylene 27.96
    ε-caprolactone 177.0
    p-cymene 24.78
    epichlorohydrin 234.65
    1,1,1-trichloroethane 54.84
    2-aminoethanol 158.11
    morpholine-4-carbaldehyde 366.69
    sulfolane 475.37
    2,2,4-trimethylpentane 4.75
    2-methyltetrahydrofuran 189.82
    n-hexyl acetate 89.32
    isooctane 4.02
    2-(2-butoxyethoxy)ethanol 169.05
    sec-butyl acetate 50.41
    tert-butyl acetate 88.11
    decalin 6.39
    glycerin 184.47
    diglyme 256.7
    acrylic acid 137.12
    isopropyl myristate 38.26
    n-butyric acid 145.36
    acetyl acetate 60.72
    di(2-ethylhexyl) phthalate 55.42
    ethyl propionate 56.69
    nitromethane 249.07
    1,2-diethoxyethane 94.57
    benzonitrile 84.33
    trioctyl phosphate 41.53
    1-bromopropane 30.29
    gamma-valerolactone 369.91
    n-decanol 36.71
    triethyl phosphate 39.27
    4-methyl-2-pentanol 51.47
    propionitrile 58.61
    vinylene carbonate 131.41
    1,1,2-trichlorotrifluoroethane 212.87
    DMS 73.97
    cumene 21.31
    2-octanol 37.49
    2-hexanone 88.85
    octyl acetate 51.34
    limonene 34.32
    1,2-dimethoxyethane 217.24
    ethyl orthosilicate 37.19
    tributyl phosphate 47.0
    diacetone alcohol 154.92
    N,N-dimethylaniline 64.58
    acrylonitrile 84.27
    aniline 71.86
    1,3-propanediol 197.97
    bromobenzene 35.75
    dibromomethane 47.97
    1,1,2,2-tetrachloroethane 134.88
    2-methyl-cyclohexyl acetate 64.57
    tetrabutyl urea 70.83
    diisobutyl methanol 36.51
    2-phenylethanol 84.93
    styrene 26.11
    dioctyl adipate 65.49
    dimethyl sulfate 127.91
    ethyl butyrate 57.83
    methyl lactate 87.5
    butyl lactate 80.85
    diethyl carbonate 38.87
    propanediol butyl ether 145.02
    triethyl orthoformate 47.83
    p-tert-butyltoluene 25.18
    methyl 4-tert-butylbenzoate 99.45
    morpholine 253.08
    tert-butylamine 78.48
    n-dodecanol 28.32
    dimethoxymethane 194.39
    ethylene carbonate 103.91
    cyrene 157.37
    2-ethoxyethyl acetate 104.11
    2-ethylhexyl acetate 58.36
    1,2,4-trichlorobenzene 74.77
    4-methylpyridine 117.38
    dibutyl ether 37.27
    2,6-dimethyl-4-heptanol 36.51
    DEF 155.26
    dimethyl isosorbide 189.77
    tetrachloroethylene 96.57
    eugenol 108.74
    triacetin 98.31
    span 80 124.79
    1,4-butanediol 99.84
    1,1-dichloroethane 52.47
    2-methyl-1-pentanol 87.25
    methyl formate 137.72
    2-methyl-1-butanol 94.42
    n-decane 4.0
    butyronitrile 69.19
    3,7-dimethyl-1-octanol 51.11
    1-chlorooctane 19.41
    1-chlorotetradecane 9.44
    n-nonane 3.45
    undecane 3.23
    tert-butylcyclohexane 6.43
    cyclooctane 3.69
    cyclopentanol 165.17
    tetrahydropyran 140.19
    tert-amyl methyl ether 56.67
    2,5,8-trioxanonane 194.32
    1-hexene 17.17
    2-isopropoxyethanol 128.93
    2,2,2-trifluoroethanol 100.96
    methyl butyrate 86.21

    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