4-Methyl-2-hexanol

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  • Identifiers

    CAS number
    2313-61-3

    Molecular formula
    C7H16O

    SMILES
    CCC(C)CC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 81.05%
    Fruity 69.5%
    Floral 56.35%
    Oily 55.57%
    Fermented 55.0%
    Alcoholic 49.01%
    Ethereal 43.18%
    Fatty 38.56%
    Winey 38.08%
    Musty 36.28%

     

    Flavor
    Green 59.34%
    Fresh 42.51%
    Fruity 38.07%
    Oily 37.47%
    Floral 34.02%
    Mild 29.11%
    Citrus 29.1%
    Mushroom 29.02%
    Herbal 28.74%
    Earthy 28.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.67 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    150°C

    Flash point

    • 48.22 ˚C est.

  • Synonyms

    • 4-Methyl-2-hexanol
    • 2-Hexanol, 4-methyl-
    • DTXSID90880737
    • RefChem:99729
    • DTXCID201022099
    • KZUBXUKRWLMPIO-UHFFFAOYSA-N
    • 4-methylhexan-2-ol
    • 2313-61-3
    • SCHEMBL92017
    • SCHEMBL1980827
    • SCHEMBL4621221
    • AKOS011898638
    • NS00096274
    • EN300-1244747
    • (2R,2S,4S)-(+)-4-METHYL-2-HEXANOL
    • 2313-61-3

  • Applications

    4-Methyl-2-hexanol (CAS 2313-61-3) is an aliphatic secondary alcohol commonly used as a chemical intermediate and as a solvent in organic synthesis. It is often evaluated as a precursor for esters and fragrance compounds and may serve as a fragrance component or odorant in perfumery. It is sometimes employed in cosmetics and personal care formulations as a solvent or processing aid, and in coatings and inks as a solvent or processing modifier. In industrial manufacturing, it may act as a specialty solvent under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1516.58
    methanol 1554.93
    isopropanol 1490.28
    water 2.88
    ethyl acetate 404.04
    n-propanol 1293.44
    acetone 642.34
    n-butanol 1262.88
    acetonitrile 438.63
    DMF 398.96
    toluene 146.13
    isobutanol 1018.3
    1,4-dioxane 939.31
    methyl acetate 388.46
    THF 1605.09
    2-butanone 542.78
    n-pentanol 746.64
    sec-butanol 1225.59
    n-hexane 402.37
    ethylene glycol 294.63
    NMP 489.62
    cyclohexane 270.3
    DMSO 583.68
    n-butyl acetate 653.94
    n-octanol 509.99
    chloroform 840.86
    n-propyl acetate 285.34
    acetic acid 590.55
    dichloromethane 470.57
    cyclohexanone 769.12
    propylene glycol 527.98
    isopropyl acetate 299.47
    DMAc 285.79
    2-ethoxyethanol 524.3
    isopentanol 959.22
    n-heptane 340.44
    ethyl formate 242.59
    1,2-dichloroethane 307.73
    n-hexanol 1763.21
    2-methoxyethanol 928.15
    isobutyl acetate 228.23
    tetrachloromethane 246.89
    n-pentyl acetate 295.58
    transcutol 1109.78
    n-heptanol 575.43
    ethylbenzene 102.01
    MIBK 328.92
    2-propoxyethanol 1318.38
    tert-butanol 1733.73
    MTBE 1026.87
    2-butoxyethanol 600.3
    propionic acid 597.29
    o-xylene 120.75
    formic acid 178.73
    diethyl ether 672.07
    m-xylene 152.95
    p-xylene 138.65
    chlorobenzene 198.24
    dimethyl carbonate 66.11
    n-octane 94.4
    formamide 119.84
    cyclopentanone 772.59
    2-pentanone 465.65
    anisole 194.44
    cyclopentyl methyl ether 706.25
    gamma-butyrolactone 670.35
    1-methoxy-2-propanol 775.65
    pyridine 380.46
    3-pentanone 296.26
    furfural 440.16
    n-dodecane 57.09
    diethylene glycol 704.8
    diisopropyl ether 280.7
    tert-amyl alcohol 1223.74
    acetylacetone 307.91
    n-hexadecane 61.64
    acetophenone 153.12
    methyl propionate 271.6
    isopentyl acetate 557.68
    trichloroethylene 486.75
    n-nonanol 404.86
    cyclohexanol 898.67
    benzyl alcohol 203.74
    2-ethylhexanol 808.8
    isooctanol 421.73
    dipropyl ether 699.79
    1,2-dichlorobenzene 178.63
    ethyl lactate 148.49
    propylene carbonate 343.02
    n-methylformamide 273.4
    2-pentanol 873.53
    n-pentane 290.15
    1-propoxy-2-propanol 1057.48
    1-methoxy-2-propyl acetate 414.92
    2-(2-methoxypropoxy) propanol 356.12
    mesitylene 115.05
    ε-caprolactone 575.53
    p-cymene 136.27
    epichlorohydrin 593.3
    1,1,1-trichloroethane 438.33
    2-aminoethanol 629.98
    morpholine-4-carbaldehyde 507.55
    sulfolane 679.01
    2,2,4-trimethylpentane 134.31
    2-methyltetrahydrofuran 1217.65
    n-hexyl acetate 496.36
    isooctane 126.83
    2-(2-butoxyethoxy)ethanol 559.9
    sec-butyl acetate 209.37
    tert-butyl acetate 383.98
    decalin 112.37
    glycerin 475.6
    diglyme 727.01
    acrylic acid 354.1
    isopropyl myristate 186.32
    n-butyric acid 852.56
    acetyl acetate 191.91
    di(2-ethylhexyl) phthalate 155.38
    ethyl propionate 209.74
    nitromethane 413.4
    1,2-diethoxyethane 439.79
    benzonitrile 243.26
    trioctyl phosphate 151.71
    1-bromopropane 426.63
    gamma-valerolactone 775.9
    n-decanol 294.49
    triethyl phosphate 124.8
    4-methyl-2-pentanol 503.4
    propionitrile 538.63
    vinylene carbonate 247.38
    1,1,2-trichlorotrifluoroethane 437.49
    DMS 166.79
    cumene 98.38
    2-octanol 367.96
    2-hexanone 404.04
    octyl acetate 233.88
    limonene 301.48
    1,2-dimethoxyethane 680.73
    ethyl orthosilicate 144.13
    tributyl phosphate 161.01
    diacetone alcohol 492.57
    N,N-dimethylaniline 137.67
    acrylonitrile 381.58
    aniline 253.92
    1,3-propanediol 767.4
    bromobenzene 177.82
    dibromomethane 454.24
    1,1,2,2-tetrachloroethane 507.83
    2-methyl-cyclohexyl acetate 293.42
    tetrabutyl urea 188.44
    diisobutyl methanol 386.33
    2-phenylethanol 362.03
    styrene 111.23
    dioctyl adipate 199.32
    dimethyl sulfate 102.61
    ethyl butyrate 321.31
    methyl lactate 186.94
    butyl lactate 269.32
    diethyl carbonate 165.46
    propanediol butyl ether 530.19
    triethyl orthoformate 256.23
    p-tert-butyltoluene 143.62
    methyl 4-tert-butylbenzoate 224.22
    morpholine 1099.79
    tert-butylamine 1242.14
    n-dodecanol 221.11
    dimethoxymethane 305.03
    ethylene carbonate 243.49
    cyrene 230.84
    2-ethoxyethyl acetate 274.69
    2-ethylhexyl acetate 424.1
    1,2,4-trichlorobenzene 208.01
    4-methylpyridine 369.1
    dibutyl ether 436.97
    2,6-dimethyl-4-heptanol 386.33
    DEF 349.52
    dimethyl isosorbide 473.2
    tetrachloroethylene 356.87
    eugenol 231.51
    triacetin 258.14
    span 80 460.17
    1,4-butanediol 316.04
    1,1-dichloroethane 503.22
    2-methyl-1-pentanol 574.75
    methyl formate 170.09
    2-methyl-1-butanol 902.55
    n-decane 105.62
    butyronitrile 639.59
    3,7-dimethyl-1-octanol 487.23
    1-chlorooctane 269.81
    1-chlorotetradecane 99.46
    n-nonane 117.51
    undecane 73.98
    tert-butylcyclohexane 143.02
    cyclooctane 100.27
    cyclopentanol 959.14
    tetrahydropyran 1210.78
    tert-amyl methyl ether 624.33
    2,5,8-trioxanonane 490.11
    1-hexene 645.32
    2-isopropoxyethanol 435.54
    2,2,2-trifluoroethanol 140.05
    methyl butyrate 293.95

    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