2-Methyl-3-hexanol

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  • Identifiers

    CAS number
    617-29-8

    Molecular formula
    C7H16O

    SMILES
    CCCC(C(C)C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 74.61%
    Fermented 65.91%
    Alcoholic 60.19%
    Oily 57.94%
    Floral 53.89%
    Fruity 51.33%
    Ethereal 48.29%
    Sweet 47.54%
    Herbal 44.77%
    Musty 41.15%

     

    Flavor
    Fruity 59.56%
    Fermented 31.15%
    Wine 30.05%
    Oily 29.85%
    Alcoholic 28.48%
    Herb 28.12%
    Herbal 27.1%
    Onion 26.97%
    Ethereal 26.38%
    Green 26.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.51 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    144°C

    Flash point

    • 47.44 ˚C est.

  • Synonyms

    • 2-METHYL-3-HEXANOL
    • 617-29-8
    • 2-Methylhexan-3-ol
    • 3-Hexanol, 2-methyl-
    • 1-Isopropyl-1-butanol
    • 5-Methyl-4-hexanol
    • 03F9K11C7W
    • EINECS 210-508-6
    • NSC-91501
    • UNII-03F9K11C7W
    • 1-ISOPROPYLBUTYL ALCOHOL
    • DTXSID90862295
    • NSC 91501
    • (+/-)-2-METHYL-3-HEXANOL
    • 2Methylhexan3ol
    • NSC91501
    • MFCD00004577
    • Isopropyl npropyl carbinol
    • 2-Methyl-3-hexanol, 98%
    • SCHEMBL107758
    • DTXCID50811082
    • AKOS009156870
    • M1266
    • NS00042646
    • D91474

  • Applications

    2-Methyl-3-hexanol (CAS 617-29-8) finds use as a solvent and chemical intermediate in multiple industries. In perfumery and cosmetics, it can serve as an odorant and solvent for fragrance formulations. In coatings, inks, and cleaning formulations, it is used as a co-solvent and processing solvent. It is also employed as an intermediate in organic synthesis for preparing esters and related derivatives in industrial manufacturing. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1074.91
    methanol 888.21
    isopropanol 1165.13
    water 1.17
    ethyl acetate 460.31
    n-propanol 1002.71
    acetone 582.07
    n-butanol 1014.39
    acetonitrile 517.24
    DMF 348.89
    toluene 178.99
    isobutanol 872.9
    1,4-dioxane 842.52
    methyl acetate 426.99
    THF 1493.21
    2-butanone 605.1
    n-pentanol 706.27
    sec-butanol 1102.1
    n-hexane 478.86
    ethylene glycol 129.97
    NMP 484.79
    cyclohexane 297.74
    DMSO 495.65
    n-butyl acetate 1020.56
    n-octanol 591.54
    chloroform 1367.72
    n-propyl acetate 462.9
    acetic acid 517.93
    dichloromethane 871.21
    cyclohexanone 865.41
    propylene glycol 295.99
    isopropyl acetate 351.89
    DMAc 308.08
    2-ethoxyethanol 532.45
    isopentanol 978.88
    n-heptane 363.91
    ethyl formate 327.6
    1,2-dichloroethane 477.86
    n-hexanol 1347.58
    2-methoxyethanol 696.44
    isobutyl acetate 371.19
    tetrachloromethane 412.36
    n-pentyl acetate 518.65
    transcutol 1366.06
    n-heptanol 635.2
    ethylbenzene 168.3
    MIBK 378.84
    2-propoxyethanol 1047.4
    tert-butanol 1499.21
    MTBE 1131.19
    2-butoxyethanol 687.58
    propionic acid 544.52
    o-xylene 165.36
    formic acid 117.65
    diethyl ether 681.71
    m-xylene 163.85
    p-xylene 244.11
    chlorobenzene 304.71
    dimethyl carbonate 70.08
    n-octane 137.03
    formamide 104.25
    cyclopentanone 847.32
    2-pentanone 485.34
    anisole 271.64
    cyclopentyl methyl ether 659.9
    gamma-butyrolactone 766.09
    1-methoxy-2-propanol 632.54
    pyridine 482.25
    3-pentanone 321.58
    furfural 590.33
    n-dodecane 84.78
    diethylene glycol 479.95
    diisopropyl ether 330.48
    tert-amyl alcohol 1270.48
    acetylacetone 334.94
    n-hexadecane 91.93
    acetophenone 246.38
    methyl propionate 266.56
    isopentyl acetate 941.02
    trichloroethylene 847.86
    n-nonanol 486.06
    cyclohexanol 784.32
    benzyl alcohol 257.51
    2-ethylhexanol 944.11
    isooctanol 574.02
    dipropyl ether 831.0
    1,2-dichlorobenzene 307.33
    ethyl lactate 200.76
    propylene carbonate 496.67
    n-methylformamide 241.31
    2-pentanol 825.2
    n-pentane 304.87
    1-propoxy-2-propanol 1039.42
    1-methoxy-2-propyl acetate 479.84
    2-(2-methoxypropoxy) propanol 415.62
    mesitylene 139.11
    ε-caprolactone 715.52
    p-cymene 223.32
    epichlorohydrin 734.02
    1,1,1-trichloroethane 735.5
    2-aminoethanol 362.0
    morpholine-4-carbaldehyde 494.85
    sulfolane 842.94
    2,2,4-trimethylpentane 177.85
    2-methyltetrahydrofuran 1252.93
    n-hexyl acetate 678.21
    isooctane 163.76
    2-(2-butoxyethoxy)ethanol 620.59
    sec-butyl acetate 336.41
    tert-butyl acetate 444.33
    decalin 157.31
    glycerin 298.92
    diglyme 891.32
    acrylic acid 326.49
    isopropyl myristate 285.5
    n-butyric acid 883.39
    acetyl acetate 215.68
    di(2-ethylhexyl) phthalate 210.93
    ethyl propionate 299.53
    nitromethane 460.13
    1,2-diethoxyethane 670.48
    benzonitrile 396.5
    trioctyl phosphate 204.66
    1-bromopropane 596.5
    gamma-valerolactone 831.62
    n-decanol 350.05
    triethyl phosphate 195.58
    4-methyl-2-pentanol 520.39
    propionitrile 552.53
    vinylene carbonate 356.22
    1,1,2-trichlorotrifluoroethane 525.91
    DMS 213.02
    cumene 171.92
    2-octanol 483.69
    2-hexanone 579.75
    octyl acetate 329.7
    limonene 399.42
    1,2-dimethoxyethane 839.65
    ethyl orthosilicate 229.13
    tributyl phosphate 234.74
    diacetone alcohol 502.15
    N,N-dimethylaniline 210.41
    acrylonitrile 418.08
    aniline 259.86
    1,3-propanediol 548.2
    bromobenzene 313.17
    dibromomethane 746.34
    1,1,2,2-tetrachloroethane 840.97
    2-methyl-cyclohexyl acetate 451.49
    tetrabutyl urea 251.62
    diisobutyl methanol 493.26
    2-phenylethanol 393.71
    styrene 180.85
    dioctyl adipate 296.82
    dimethyl sulfate 120.55
    ethyl butyrate 556.44
    methyl lactate 165.91
    butyl lactate 402.68
    diethyl carbonate 292.38
    propanediol butyl ether 589.23
    triethyl orthoformate 406.48
    p-tert-butyltoluene 222.8
    methyl 4-tert-butylbenzoate 328.66
    morpholine 923.36
    tert-butylamine 1241.61
    n-dodecanol 270.32
    dimethoxymethane 257.21
    ethylene carbonate 335.59
    cyrene 285.37
    2-ethoxyethyl acetate 407.59
    2-ethylhexyl acetate 722.91
    1,2,4-trichlorobenzene 354.94
    4-methylpyridine 483.38
    dibutyl ether 660.61
    2,6-dimethyl-4-heptanol 493.26
    DEF 379.37
    dimethyl isosorbide 601.65
    tetrachloroethylene 600.38
    eugenol 308.58
    triacetin 341.81
    span 80 507.58
    1,4-butanediol 250.73
    1,1-dichloroethane 718.74
    2-methyl-1-pentanol 677.52
    methyl formate 173.73
    2-methyl-1-butanol 870.56
    n-decane 155.93
    butyronitrile 763.8
    3,7-dimethyl-1-octanol 605.28
    1-chlorooctane 387.2
    1-chlorotetradecane 149.5
    n-nonane 175.23
    undecane 109.2
    tert-butylcyclohexane 207.84
    cyclooctane 119.41
    cyclopentanol 842.55
    tetrahydropyran 1131.04
    tert-amyl methyl ether 694.37
    2,5,8-trioxanonane 551.16
    1-hexene 837.7
    2-isopropoxyethanol 480.41
    2,2,2-trifluoroethanol 136.85
    methyl butyrate 469.56

    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