6-Hexyl-m-cresol

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  • Identifiers

    CAS number
    39236-85-6

    Molecular formula
    C13H20O

    SMILES
    CCCCCCC1=C(C=C(C=C1)C)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 60.67%
    Phenolic 58.99%
    Smoky 39.89%
    Animal 34.63%
    Leathery 34.63%
    Burnt 31.91%
    Woody 31.48%
    Medicinal 30.91%
    Balsamic 30.21%
    Sweet 29.31%

     

    Flavor
    Phenolic 47.85%
    Medicinal 38.64%
    Woody 37.74%
    Spice 36.75%
    Spicy 34.9%
    Herbal 30.6%
    Smoky 27.36%
    Mild 26.98%
    Guaiacol 24.68%
    Creosote 24.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    10.13 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point

    • 130.16 ˚C est.

  • Synonyms

    • 6-Hexyl-m-cresol
    • 2-hexyl-5-methylphenol
    • 39236-85-6
    • 6-n-Hexyl-m-cresol
    • m-Cresol, 6-hexyl-
    • BRN 2089379
    • UNII-5N2U2039CE
    • 5N2U2039CE
    • DTXSID60192495
    • 3-06-00-02034 (Beilstein Handbook Reference)
    • RefChem:104684
    • DTXCID70114986
    • orb1986686
    • SCHEMBL3358965
    • AKOS040749991
    • Q27262587
    • 39236-85-6

  • Applications

    6-Hexyl-m-cresol (CAS 39236-85-6) is primarily used as an intermediate and as a fragrance-related odorant. In perfumery and cosmetics, it serves as a niche fragrance note and may function as a fixative or scent component in specialty formulations, subject to regulatory constraints. In household and cleaning products, it can be used as a fragrance additive to impart and stabilize aroma in cleaners and air fresheners. In industrial manufacturing, it is used as an intermediate in the synthesis of specialty chemicals, including aroma chemicals, and may serve as a polymer-related additive. In coatings and inks, it may be used as an odorant or fragrance component in decorative coatings and printing inks, again under regulatory controls. It may also appear in polymer and plastics formulations as a building block for aroma-related additives. Overall, usage is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42093.01
    methanol 33156.61
    isopropanol 30619.33
    water 0.1
    ethyl acetate 41662.07
    n-propanol 33942.49
    acetone 53306.45
    n-butanol 23602.55
    acetonitrile 38165.45
    DMF 26478.99
    toluene 4123.39
    isobutanol 21299.61
    1,4-dioxane 27301.36
    methyl acetate 24692.6
    THF 26437.96
    2-butanone 31715.71
    n-pentanol 10946.94
    sec-butanol 18668.59
    n-hexane 3215.2
    ethylene glycol 1090.15
    NMP 5678.73
    cyclohexane 2586.73
    DMSO 19149.23
    n-butyl acetate 18378.56
    n-octanol 2082.59
    chloroform 13585.86
    n-propyl acetate 13811.92
    acetic acid 7265.33
    dichloromethane 17181.83
    cyclohexanone 18154.32
    propylene glycol 2494.05
    isopropyl acetate 17843.4
    DMAc 8716.91
    2-ethoxyethanol 10615.32
    isopentanol 15955.86
    n-heptane 832.85
    ethyl formate 10240.09
    1,2-dichloroethane 18885.47
    n-hexanol 14085.49
    2-methoxyethanol 22778.39
    isobutyl acetate 6287.55
    tetrachloromethane 1923.57
    n-pentyl acetate 4170.76
    transcutol 22141.59
    n-heptanol 2591.65
    ethylbenzene 1700.38
    MIBK 9634.27
    2-propoxyethanol 17050.77
    tert-butanol 29580.03
    MTBE 41626.18
    2-butoxyethanol 4578.41
    propionic acid 9012.82
    o-xylene 1457.3
    formic acid 1061.1
    diethyl ether 52560.05
    m-xylene 2212.33
    p-xylene 1857.77
    chlorobenzene 4465.99
    dimethyl carbonate 3280.01
    n-octane 295.58
    formamide 3732.55
    cyclopentanone 16445.04
    2-pentanone 29241.71
    anisole 4253.83
    cyclopentyl methyl ether 13593.09
    gamma-butyrolactone 14050.28
    1-methoxy-2-propanol 15848.94
    pyridine 12990.4
    3-pentanone 16154.83
    furfural 5703.28
    n-dodecane 163.15
    diethylene glycol 4789.98
    diisopropyl ether 9482.2
    tert-amyl alcohol 15986.45
    acetylacetone 13490.53
    n-hexadecane 195.14
    acetophenone 2360.47
    methyl propionate 21050.48
    isopentyl acetate 11745.1
    trichloroethylene 18979.49
    n-nonanol 1679.26
    cyclohexanol 8960.81
    benzyl alcohol 2344.0
    2-ethylhexanol 4755.5
    isooctanol 1938.59
    dipropyl ether 13332.28
    1,2-dichlorobenzene 2502.95
    ethyl lactate 1664.21
    propylene carbonate 5812.78
    n-methylformamide 15662.3
    2-pentanol 15466.28
    n-pentane 2388.68
    1-propoxy-2-propanol 10544.73
    1-methoxy-2-propyl acetate 9045.79
    2-(2-methoxypropoxy) propanol 1928.3
    mesitylene 1149.83
    ε-caprolactone 11990.62
    p-cymene 696.94
    epichlorohydrin 19658.96
    1,1,1-trichloroethane 12144.54
    2-aminoethanol 5394.64
    morpholine-4-carbaldehyde 8447.26
    sulfolane 8561.3
    2,2,4-trimethylpentane 545.58
    2-methyltetrahydrofuran 22414.36
    n-hexyl acetate 5043.19
    isooctane 625.7
    2-(2-butoxyethoxy)ethanol 4242.51
    sec-butyl acetate 7265.54
    tert-butyl acetate 12458.16
    decalin 661.0
    glycerin 1656.97
    diglyme 8994.2
    acrylic acid 3684.76
    isopropyl myristate 1360.24
    n-butyric acid 18517.03
    acetyl acetate 6776.08
    di(2-ethylhexyl) phthalate 637.14
    ethyl propionate 10037.61
    nitromethane 18685.56
    1,2-diethoxyethane 18502.61
    benzonitrile 4076.14
    trioctyl phosphate 619.68
    1-bromopropane 14436.18
    gamma-valerolactone 17194.31
    n-decanol 1189.49
    triethyl phosphate 958.94
    4-methyl-2-pentanol 4978.84
    propionitrile 26827.82
    vinylene carbonate 4415.75
    1,1,2-trichlorotrifluoroethane 5254.99
    DMS 2661.73
    cumene 894.93
    2-octanol 1573.74
    2-hexanone 13160.65
    octyl acetate 1731.2
    limonene 1634.82
    1,2-dimethoxyethane 21760.85
    ethyl orthosilicate 1125.68
    tributyl phosphate 945.41
    diacetone alcohol 7612.91
    N,N-dimethylaniline 1651.34
    acrylonitrile 18794.87
    aniline 5544.05
    1,3-propanediol 9880.44
    bromobenzene 4338.67
    dibromomethane 11678.68
    1,1,2,2-tetrachloroethane 13716.91
    2-methyl-cyclohexyl acetate 2294.16
    tetrabutyl urea 1076.48
    diisobutyl methanol 1913.64
    2-phenylethanol 3029.89
    styrene 2584.86
    dioctyl adipate 1342.26
    dimethyl sulfate 2604.73
    ethyl butyrate 7747.7
    methyl lactate 2640.02
    butyl lactate 2085.69
    diethyl carbonate 2977.23
    propanediol butyl ether 2423.87
    triethyl orthoformate 3063.73
    p-tert-butyltoluene 751.62
    methyl 4-tert-butylbenzoate 1248.0
    morpholine 37663.28
    tert-butylamine 19676.31
    n-dodecanol 866.52
    dimethoxymethane 22927.3
    ethylene carbonate 5248.53
    cyrene 1103.07
    2-ethoxyethyl acetate 5252.15
    2-ethylhexyl acetate 7191.91
    1,2,4-trichlorobenzene 2391.01
    4-methylpyridine 13819.49
    dibutyl ether 7142.42
    2,6-dimethyl-4-heptanol 1913.64
    DEF 22284.89
    dimethyl isosorbide 2897.38
    tetrachloroethylene 7829.86
    eugenol 1245.12
    triacetin 1941.04
    span 80 1690.94
    1,4-butanediol 2257.63
    1,1-dichloroethane 23472.25
    2-methyl-1-pentanol 7155.36
    methyl formate 7438.07
    2-methyl-1-butanol 13851.96
    n-decane 334.97
    butyronitrile 26938.98
    3,7-dimethyl-1-octanol 2277.85
    1-chlorooctane 1639.66
    1-chlorotetradecane 464.37
    n-nonane 374.39
    undecane 225.84
    tert-butylcyclohexane 710.95
    cyclooctane 574.7
    cyclopentanol 7989.1
    tetrahydropyran 38858.16
    tert-amyl methyl ether 14518.21
    2,5,8-trioxanonane 3513.97
    1-hexene 12167.55
    2-isopropoxyethanol 7135.34
    2,2,2-trifluoroethanol 1104.21
    methyl butyrate 14161.49

    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