6-Bromo-1-hexanol

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  • Identifiers

    CAS number
    4286-55-9

    Molecular formula
    C6H13BrO

    SMILES
    C(CCCBr)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 48.19%
    Fresh 42.17%
    Oily 41.94%
    Cheesy 40.85%
    Citrus 39.17%
    Sweet 38.67%
    Fatty 35.16%
    Floral 35.15%
    Waxy 31.75%
    Fruity 30.16%

     

    Flavor
    Fatty 41.4%
    Floral 33.93%
    Sweet 32.91%
    Sulfurous 32.5%
    Green 31.14%
    Fishy 31.07%
    Mushroom 29.87%
    Waxy 28.72%
    Burnt 27.42%
    Meaty 27.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.06 (weak base)

    Molecular weight
    181.07 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point

    • 103.87 ˚C est.

  • Synonyms

    • 6-Bromo-1-hexanol
    • 4286-55-9
    • 6-BROMOHEXAN-1-OL
    • 6-Bromohexanol
    • 1-Hexanol, 6-bromo-
    • 6-hydroxyhexyl bromide
    • 3U3A1ZLY0T
    • UNII-3U3A1ZLY0T
    • DTXSID2063397
    • FCMCSZXRVWDVAW-UHFFFAOYSA-
    • 6bromohexanol
    • 1Hexanol, 6bromo
    • 1Bromo6hydroxyhexane
    • RefChem:104269
    • DTXCID5040174
    • 610-072-0
    • FCMCSZXRVWDVAW-UHFFFAOYSA-N
    • InChI=1/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
    • MFCD00002983
    • Hexamethylene bromohydrin
    • 6-bromo-hexan-1-ol
    • 6-bromo-hexanol
    • 6-bromo-l-hexanol
    • 1-bromo-6-hexanol
    • 1-bromohexan-6-ol
    • 6-bromo- 1-Hexanol
    • 6-bromo- 1 -hexanol
    • SCHEMBL34356
    • 6-Bromo-1-hexanol, 97%
    • SCHEMBL179988
    • orb3022160
    • CHEMBL1231334
    • 6-Bromo-1-hexanol (high purity)
    • BBL103898
    • EBC-47340
    • SBB054752
    • STL557708
    • AKOS007930799
    • CS-W017171
    • DB04637
    • DS-4962
    • FB61390
    • BP-31084
    • PD005944
    • SY017128
    • DB-007123
    • B1822
    • NS00020816
    • EN300-85129
    • 286B559
    • F067667
    • Q27095373
    • Z1255398867
    • 4286-55-9

  • Applications

    6-Bromo-1-hexanol (CAS 4286-55-9) is a bifunctional building block used in organic synthesis, enabling chain extension and the formation of ether or ester linkages. It may serve as a fragrance intermediate and a precursor for pharmaceutical-related intermediates; it can act as a reactive building block in polymer and plastics formulations to introduce hydroxyl functionality and support crosslinking; it is used in coatings and inks as a reactive intermediate to impart hydroxyl groups for subsequent polymerization; and it can function as a precursor for various pharmaceutical-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1297.97
    methanol 1416.46
    isopropanol 890.76
    water 8.23
    ethyl acetate 384.8
    n-propanol 905.78
    acetone 1239.69
    n-butanol 882.06
    acetonitrile 394.97
    DMF 1210.52
    toluene 212.39
    isobutanol 597.04
    1,4-dioxane 1091.54
    methyl acetate 366.73
    THF 2004.24
    2-butanone 586.77
    n-pentanol 483.09
    sec-butanol 586.38
    n-hexane 59.75
    ethylene glycol 354.44
    NMP 926.07
    cyclohexane 171.79
    DMSO 2182.1
    n-butyl acetate 454.94
    n-octanol 188.12
    chloroform 988.23
    n-propyl acetate 353.89
    acetic acid 1086.99
    dichloromethane 830.52
    cyclohexanone 1136.23
    propylene glycol 365.01
    isopropyl acetate 251.97
    DMAc 566.57
    2-ethoxyethanol 646.58
    isopentanol 565.89
    n-heptane 88.63
    ethyl formate 363.35
    1,2-dichloroethane 619.66
    n-hexanol 415.96
    2-methoxyethanol 1247.95
    isobutyl acetate 250.23
    tetrachloromethane 261.63
    n-pentyl acetate 288.43
    transcutol 1456.63
    n-heptanol 221.77
    ethylbenzene 96.08
    MIBK 301.69
    2-propoxyethanol 599.06
    tert-butanol 812.54
    MTBE 395.17
    2-butoxyethanol 398.52
    propionic acid 589.77
    o-xylene 140.62
    formic acid 437.8
    diethyl ether 499.94
    m-xylene 151.35
    p-xylene 138.93
    chlorobenzene 299.25
    dimethyl carbonate 137.22
    n-octane 23.82
    formamide 561.91
    cyclopentanone 1277.61
    2-pentanone 584.65
    anisole 234.49
    cyclopentyl methyl ether 704.0
    gamma-butyrolactone 1043.68
    1-methoxy-2-propanol 698.52
    pyridine 851.1
    3-pentanone 345.55
    furfural 918.1
    n-dodecane 15.92
    diethylene glycol 555.16
    diisopropyl ether 129.18
    tert-amyl alcohol 506.65
    acetylacetone 510.29
    n-hexadecane 18.04
    acetophenone 266.5
    methyl propionate 293.1
    isopentyl acetate 352.72
    trichloroethylene 1051.23
    n-nonanol 157.64
    cyclohexanol 755.22
    benzyl alcohol 272.02
    2-ethylhexanol 240.11
    isooctanol 176.09
    dipropyl ether 361.67
    1,2-dichlorobenzene 264.07
    ethyl lactate 168.56
    propylene carbonate 491.69
    n-methylformamide 661.0
    2-pentanol 459.75
    n-pentane 84.51
    1-propoxy-2-propanol 490.43
    1-methoxy-2-propyl acetate 350.21
    2-(2-methoxypropoxy) propanol 286.88
    mesitylene 102.45
    ε-caprolactone 686.36
    p-cymene 109.92
    epichlorohydrin 909.1
    1,1,1-trichloroethane 521.29
    2-aminoethanol 582.44
    morpholine-4-carbaldehyde 903.12
    sulfolane 1299.75
    2,2,4-trimethylpentane 35.11
    2-methyltetrahydrofuran 1073.87
    n-hexyl acetate 301.29
    isooctane 27.17
    2-(2-butoxyethoxy)ethanol 451.42
    sec-butyl acetate 216.22
    tert-butyl acetate 299.92
    decalin 43.44
    glycerin 496.09
    diglyme 878.3
    acrylic acid 535.04
    isopropyl myristate 117.72
    n-butyric acid 778.57
    acetyl acetate 247.37
    di(2-ethylhexyl) phthalate 131.42
    ethyl propionate 212.43
    nitromethane 1021.22
    1,2-diethoxyethane 487.48
    benzonitrile 336.17
    trioctyl phosphate 107.7
    1-bromopropane 361.5
    gamma-valerolactone 1258.67
    n-decanol 114.72
    triethyl phosphate 138.72
    4-methyl-2-pentanol 209.67
    propionitrile 380.18
    vinylene carbonate 452.44
    1,1,2-trichlorotrifluoroethane 798.86
    DMS 194.44
    cumene 77.7
    2-octanol 148.96
    2-hexanone 404.7
    octyl acetate 150.68
    limonene 185.53
    1,2-dimethoxyethane 852.56
    ethyl orthosilicate 151.06
    tributyl phosphate 127.56
    diacetone alcohol 401.85
    N,N-dimethylaniline 178.37
    acrylonitrile 450.65
    aniline 342.6
    1,3-propanediol 851.2
    bromobenzene 261.21
    dibromomethane 585.94
    1,1,2,2-tetrachloroethane 849.9
    2-methyl-cyclohexyl acetate 234.02
    tetrabutyl urea 174.59
    diisobutyl methanol 164.92
    2-phenylethanol 257.73
    styrene 137.7
    dioctyl adipate 202.71
    dimethyl sulfate 268.4
    ethyl butyrate 306.45
    methyl lactate 207.93
    butyl lactate 243.72
    diethyl carbonate 176.65
    propanediol butyl ether 390.65
    triethyl orthoformate 241.75
    p-tert-butyltoluene 107.16
    methyl 4-tert-butylbenzoate 250.9
    morpholine 1376.51
    tert-butylamine 472.01
    n-dodecanol 90.15
    dimethoxymethane 579.52
    ethylene carbonate 391.55
    cyrene 321.88
    2-ethoxyethyl acetate 338.25
    2-ethylhexyl acetate 281.59
    1,2,4-trichlorobenzene 328.75
    4-methylpyridine 599.46
    dibutyl ether 222.23
    2,6-dimethyl-4-heptanol 164.92
    DEF 506.26
    dimethyl isosorbide 449.47
    tetrachloroethylene 723.11
    eugenol 266.45
    triacetin 287.09
    span 80 330.35
    1,4-butanediol 323.19
    1,1-dichloroethane 536.74
    2-methyl-1-pentanol 342.42
    methyl formate 424.41
    2-methyl-1-butanol 482.44
    n-decane 27.42
    butyronitrile 485.68
    3,7-dimethyl-1-octanol 171.97
    1-chlorooctane 108.78
    1-chlorotetradecane 42.63
    n-nonane 28.1
    undecane 19.83
    tert-butylcyclohexane 40.38
    cyclooctane 49.41
    cyclopentanol 854.89
    tetrahydropyran 1337.22
    tert-amyl methyl ether 267.64
    2,5,8-trioxanonane 554.24
    1-hexene 184.67
    2-isopropoxyethanol 420.2
    2,2,2-trifluoroethanol 356.11
    methyl butyrate 339.37

    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