2-Methylhexanol

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  • Identifiers

    CAS number
    624-22-6

    Molecular formula
    C7H16O

    SMILES
    CCCCC(C)CO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 68.02%
    Sweet 61.3%
    Fermented 55.09%
    Green 53.9%
    Fatty 52.24%
    Alcoholic 48.6%
    Herbal 48.1%
    Musty 45.11%
    Fresh 44.33%
    Fruity 42.0%

     

    Flavor
    Fruity 54.9%
    Green 51.56%
    Herbal 43.37%
    Sweet 39.8%
    Mushroom 35.8%
    Floral 35.77%
    Fresh 35.07%
    Citrus 31.85%
    Earthy 31.52%
    Musty 31.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.92 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    165°C

    Flash point

    • 62.6 ˚C est.

  • Synonyms

    • 2-Methylhexan-1-ol
    • 2-methyl-1-hexanol
    • 624-22-6
    • 1-Hexanol, 2-methyl-
    • 2-methylhexanol
    • Z6K9KCS2ZN
    • EINECS 210-837-5
    • DTXSID301031552
    • RefChem:476065
    • DTXCID301404842
    • 210-837-5
    • 61949-26-6
    • MFCD00059145
    • METHYLHEXANOL
    • 2-methyl-hexan-1-ol
    • UNII-Z6K9KCS2ZN
    • SCHEMBL186907
    • SCHEMBL233855
    • SCHEMBL3158351
    • SCHEMBL6082623
    • SCHEMBL10700897
    • SCHEMBL28954153
    • AKOS006275680
    • SB83990
    • SY395620
    • CS-0297350
    • NS00042868
    • G38416
    • EN300-6506155
    • Q27894765
    • 624-22-6

  • Applications

    2-Methylhexanol (CAS 624-22-6) is a higher aliphatic primary alcohol that serves as a versatile solvent and synthetic intermediate. In industrial practice it is used as a solvent for coatings, inks, and cleaning formulations; as a precursor for fragrance and flavor esters; as a component in cosmetics and personal care products where it acts as a solvent and carrier for fragrance ingredients; as a processing solvent in household and industrial cleaners; and as an odorant or fragrance ingredient in perfumery. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3708.18
    methanol 1722.41
    isopropanol 4061.97
    water 0.76
    ethyl acetate 1242.37
    n-propanol 3322.13
    acetone 1890.83
    n-butanol 3381.02
    acetonitrile 1442.28
    DMF 1039.18
    toluene 299.97
    isobutanol 2562.08
    1,4-dioxane 1876.95
    methyl acetate 978.11
    THF 3682.11
    2-butanone 1485.5
    n-pentanol 1619.7
    sec-butanol 2855.86
    n-hexane 363.9
    ethylene glycol 355.08
    NMP 752.23
    cyclohexane 443.79
    DMSO 1830.49
    n-butyl acetate 2320.45
    n-octanol 775.11
    chloroform 2700.57
    n-propyl acetate 974.81
    acetic acid 1655.09
    dichloromethane 2456.51
    cyclohexanone 2011.03
    propylene glycol 842.59
    isopropyl acetate 731.43
    DMAc 478.98
    2-ethoxyethanol 1118.95
    isopentanol 2511.68
    n-heptane 542.14
    ethyl formate 1018.23
    1,2-dichloroethane 1355.22
    n-hexanol 2929.74
    2-methoxyethanol 2114.56
    isobutyl acetate 570.64
    tetrachloromethane 595.14
    n-pentyl acetate 778.2
    transcutol 2301.79
    n-heptanol 1010.36
    ethylbenzene 190.33
    MIBK 740.64
    2-propoxyethanol 2240.38
    tert-butanol 4023.54
    MTBE 1817.33
    2-butoxyethanol 1179.7
    propionic acid 1453.1
    o-xylene 198.3
    formic acid 249.7
    diethyl ether 1434.27
    m-xylene 225.65
    p-xylene 252.77
    chlorobenzene 512.31
    dimethyl carbonate 134.36
    n-octane 129.45
    formamide 326.71
    cyclopentanone 1965.69
    2-pentanone 1350.45
    anisole 387.23
    cyclopentyl methyl ether 1278.14
    gamma-butyrolactone 1863.71
    1-methoxy-2-propanol 1740.25
    pyridine 1244.47
    3-pentanone 606.3
    furfural 1184.25
    n-dodecane 71.77
    diethylene glycol 1013.46
    diisopropyl ether 452.24
    tert-amyl alcohol 2294.46
    acetylacetone 795.72
    n-hexadecane 78.63
    acetophenone 326.75
    methyl propionate 651.56
    isopentyl acetate 1733.32
    trichloroethylene 2011.16
    n-nonanol 591.92
    cyclohexanol 1933.11
    benzyl alcohol 397.35
    2-ethylhexanol 1696.09
    isooctanol 779.5
    dipropyl ether 1659.11
    1,2-dichlorobenzene 426.26
    ethyl lactate 317.59
    propylene carbonate 1042.42
    n-methylformamide 792.84
    2-pentanol 1963.68
    n-pentane 373.38
    1-propoxy-2-propanol 2179.23
    1-methoxy-2-propyl acetate 937.76
    2-(2-methoxypropoxy) propanol 544.77
    mesitylene 157.93
    ε-caprolactone 1549.76
    p-cymene 288.75
    epichlorohydrin 2089.57
    1,1,1-trichloroethane 1397.98
    2-aminoethanol 1070.84
    morpholine-4-carbaldehyde 984.69
    sulfolane 1587.71
    2,2,4-trimethylpentane 165.83
    2-methyltetrahydrofuran 2925.5
    n-hexyl acetate 905.03
    isooctane 161.59
    2-(2-butoxyethoxy)ethanol 938.61
    sec-butyl acetate 543.49
    tert-butyl acetate 727.78
    decalin 143.46
    glycerin 717.42
    diglyme 1527.22
    acrylic acid 785.08
    isopropyl myristate 315.58
    n-butyric acid 3006.15
    acetyl acetate 452.11
    di(2-ethylhexyl) phthalate 241.76
    ethyl propionate 564.31
    nitromethane 1482.22
    1,2-diethoxyethane 1219.01
    benzonitrile 677.39
    trioctyl phosphate 259.14
    1-bromopropane 1396.51
    gamma-valerolactone 2102.52
    n-decanol 413.81
    triethyl phosphate 283.39
    4-methyl-2-pentanol 905.49
    propionitrile 1467.22
    vinylene carbonate 766.62
    1,1,2-trichlorotrifluoroethane 1109.69
    DMS 290.74
    cumene 154.21
    2-octanol 633.44
    2-hexanone 1034.78
    octyl acetate 396.4
    limonene 613.23
    1,2-dimethoxyethane 1731.52
    ethyl orthosilicate 317.19
    tributyl phosphate 296.58
    diacetone alcohol 944.17
    N,N-dimethylaniline 229.19
    acrylonitrile 1177.4
    aniline 555.14
    1,3-propanediol 1726.92
    bromobenzene 481.44
    dibromomethane 1989.77
    1,1,2,2-tetrachloroethane 1621.08
    2-methyl-cyclohexyl acetate 637.39
    tetrabutyl urea 319.62
    diisobutyl methanol 756.74
    2-phenylethanol 639.86
    styrene 241.55
    dioctyl adipate 391.6
    dimethyl sulfate 196.28
    ethyl butyrate 1223.13
    methyl lactate 331.65
    butyl lactate 572.97
    diethyl carbonate 541.86
    propanediol butyl ether 892.68
    triethyl orthoformate 716.44
    p-tert-butyltoluene 288.34
    methyl 4-tert-butylbenzoate 382.15
    morpholine 2582.57
    tert-butylamine 2755.84
    n-dodecanol 310.19
    dimethoxymethane 687.77
    ethylene carbonate 756.63
    cyrene 353.93
    2-ethoxyethyl acetate 641.24
    2-ethylhexyl acetate 1197.59
    1,2,4-trichlorobenzene 474.9
    4-methylpyridine 1078.18
    dibutyl ether 909.54
    2,6-dimethyl-4-heptanol 756.74
    DEF 929.13
    dimethyl isosorbide 775.58
    tetrachloroethylene 1049.59
    eugenol 391.13
    triacetin 448.36
    span 80 748.49
    1,4-butanediol 553.06
    1,1-dichloroethane 1861.19
    2-methyl-1-pentanol 1224.85
    methyl formate 479.52
    2-methyl-1-butanol 2064.99
    n-decane 131.59
    butyronitrile 2355.45
    3,7-dimethyl-1-octanol 731.86
    1-chlorooctane 416.78
    1-chlorotetradecane 145.14
    n-nonane 145.14
    undecane 91.61
    tert-butylcyclohexane 168.69
    cyclooctane 132.28
    cyclopentanol 2223.59
    tetrahydropyran 3019.13
    tert-amyl methyl ether 959.93
    2,5,8-trioxanonane 837.88
    1-hexene 977.19
    2-isopropoxyethanol 819.8
    2,2,2-trifluoroethanol 274.85
    methyl butyrate 1010.81

    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