2-Methyl-3-hexanone

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  • Identifiers

    CAS number
    7379-12-6

    Molecular formula
    C7H14O

    SMILES
    CCCC(=O)C(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 95.17%
    Ketonic 68.11%
    Ethereal 62.58%
    Herbal 59.01%
    Cheesy 58.05%
    Green 50.81%
    Sweet 46.96%
    Banana 42.01%
    Fermented 39.75%
    Pungent 37.92%

     

    Flavor
    Fruity 75.21%
    Green 54.29%
    Sweet 44.27%
    Pineapple 38.83%
    Berry 37.81%
    Tropical 36.04%
    Ethereal 33.85%
    Apple 33.75%
    Cheese 30.62%
    Ether 25.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.06 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    135°C

    Flash point

    • 28.45 ˚C est.

  • Synonyms

    • 2-METHYL-3-HEXANONE
    • 7379-12-6
    • 2-Methylhexan-3-one
    • 3-Hexanone, 2-methyl-
    • BRN 1699041
    • EINECS 230-940-9
    • AI3-28328
    • DTXSID4073380
    • 4-01-00-03328 (Beilstein Handbook Reference)
    • 2Methylhexan3one
    • 3Hexanone, 2methyl
    • Isopropylnpropyl ketone
    • RefChem:475370
    • DTXCID5047588
    • 230-940-9
    • Isopropyl propyl ketone
    • MFCD00009399
    • 2-methyl-hexan-3-one
    • Propyl isopropyl ketone
    • SCHEMBL103348
    • SCHEMBL131047
    • 2-Methyl-3-hexanone, 98%
    • SCHEMBL1412968
    • SCHEMBL9227788
    • SCHEMBL25405710
    • CHEBI:88411
    • AKOS009158432
    • BS-22932
    • SY051791
    • DB-055803
    • CS-0204265
    • M0570
    • NS00046306
    • D91358
    • EN300-1229351
    • Q27160265
    • InChI=1/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H
    • 7379-12-6

  • Applications

    2-Methyl-3-hexanone (CAS 7379-12-6) is used primarily as a solvent in industrial manufacturing, including coatings, inks, adhesives, and cleaning formulations, where it acts as a medium to dissolve resins and facilitate processing; it can also serve as an intermediate in organic synthesis for fragrance and specialty chemicals. In perfumery and cosmetics, it may function as a fragrance solvent or odorant carrier, contributing to scent profiles. The compound is sometimes evaluated as a processing solvent for polymers and plastics formulations. In household products, it can appear as a solvent component in cleaners and related formulations, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2121.32
    methanol 2489.38
    isopropanol 2152.61
    water 8.67
    ethyl acetate 1394.59
    n-propanol 1881.04
    acetone 2095.27
    n-butanol 1841.68
    acetonitrile 2341.32
    DMF 1743.5
    toluene 783.47
    isobutanol 1801.33
    1,4-dioxane 2041.1
    methyl acetate 1482.59
    THF 2645.63
    2-butanone 1893.46
    n-pentanol 1400.8
    sec-butanol 2205.54
    n-hexane 998.62
    ethylene glycol 386.64
    NMP 2143.99
    cyclohexane 704.73
    DMSO 1402.93
    n-butyl acetate 1964.66
    n-octanol 1408.2
    chloroform 5944.41
    n-propyl acetate 1181.09
    acetic acid 1839.93
    dichloromethane 4251.18
    cyclohexanone 2742.54
    propylene glycol 641.84
    isopropyl acetate 978.5
    DMAc 1433.75
    2-ethoxyethanol 1223.89
    isopentanol 1847.52
    n-heptane 508.22
    ethyl formate 1123.06
    1,2-dichloroethane 2210.47
    n-hexanol 1896.95
    2-methoxyethanol 1714.2
    isobutyl acetate 906.54
    tetrachloromethane 1531.97
    n-pentyl acetate 1415.43
    transcutol 3102.83
    n-heptanol 1179.51
    ethylbenzene 735.38
    MIBK 1035.63
    2-propoxyethanol 1814.9
    tert-butanol 2572.05
    MTBE 2145.78
    2-butoxyethanol 1361.96
    propionic acid 1659.37
    o-xylene 703.37
    formic acid 490.72
    diethyl ether 1475.65
    m-xylene 647.23
    p-xylene 1067.76
    chlorobenzene 1526.99
    dimethyl carbonate 339.72
    n-octane 278.64
    formamide 534.02
    cyclopentanone 2708.55
    2-pentanone 1449.77
    anisole 1060.55
    cyclopentyl methyl ether 1477.59
    gamma-butyrolactone 2671.09
    1-methoxy-2-propanol 1324.74
    pyridine 1982.29
    3-pentanone 1134.22
    furfural 2367.52
    n-dodecane 194.54
    diethylene glycol 997.97
    diisopropyl ether 689.17
    tert-amyl alcohol 2387.89
    acetylacetone 1268.98
    n-hexadecane 217.54
    acetophenone 1046.08
    methyl propionate 944.82
    isopentyl acetate 1812.09
    trichloroethylene 4351.96
    n-nonanol 1142.13
    cyclohexanol 1781.55
    benzyl alcohol 912.62
    2-ethylhexanol 1370.9
    isooctanol 984.7
    dipropyl ether 1145.54
    1,2-dichlorobenzene 1476.93
    ethyl lactate 566.49
    propylene carbonate 1664.89
    n-methylformamide 1099.69
    2-pentanol 1503.97
    n-pentane 578.54
    1-propoxy-2-propanol 1525.63
    1-methoxy-2-propyl acetate 1072.9
    2-(2-methoxypropoxy) propanol 953.0
    mesitylene 498.26
    ε-caprolactone 2271.55
    p-cymene 639.57
    epichlorohydrin 2452.45
    1,1,1-trichloroethane 3052.64
    2-aminoethanol 835.43
    morpholine-4-carbaldehyde 1862.88
    sulfolane 2799.71
    2,2,4-trimethylpentane 356.99
    2-methyltetrahydrofuran 2762.86
    n-hexyl acetate 2073.27
    isooctane 278.6
    2-(2-butoxyethoxy)ethanol 1314.36
    sec-butyl acetate 875.66
    tert-butyl acetate 1118.1
    decalin 426.57
    glycerin 714.48
    diglyme 2145.71
    acrylic acid 1307.45
    isopropyl myristate 702.08
    n-butyric acid 2154.26
    acetyl acetate 837.89
    di(2-ethylhexyl) phthalate 543.31
    ethyl propionate 932.15
    nitromethane 2193.07
    1,2-diethoxyethane 1481.86
    benzonitrile 1748.86
    trioctyl phosphate 463.31
    1-bromopropane 1983.93
    gamma-valerolactone 2725.57
    n-decanol 772.67
    triethyl phosphate 504.3
    4-methyl-2-pentanol 941.87
    propionitrile 1831.02
    vinylene carbonate 1528.12
    1,1,2-trichlorotrifluoroethane 1785.84
    DMS 881.33
    cumene 626.72
    2-octanol 1067.61
    2-hexanone 1465.39
    octyl acetate 856.76
    limonene 906.76
    1,2-dimethoxyethane 2026.22
    ethyl orthosilicate 538.96
    tributyl phosphate 590.15
    diacetone alcohol 1115.15
    N,N-dimethylaniline 791.84
    acrylonitrile 2029.88
    aniline 1032.21
    1,3-propanediol 1234.07
    bromobenzene 1725.5
    dibromomethane 3228.07
    1,1,2,2-tetrachloroethane 3723.88
    2-methyl-cyclohexyl acetate 971.16
    tetrabutyl urea 658.59
    diisobutyl methanol 755.92
    2-phenylethanol 1052.43
    styrene 861.19
    dioctyl adipate 829.42
    dimethyl sulfate 572.09
    ethyl butyrate 1178.71
    methyl lactate 552.61
    butyl lactate 1019.99
    diethyl carbonate 746.98
    propanediol butyl ether 1360.69
    triethyl orthoformate 799.25
    p-tert-butyltoluene 593.71
    methyl 4-tert-butylbenzoate 947.34
    morpholine 2249.35
    tert-butylamine 2023.62
    n-dodecanol 556.86
    dimethoxymethane 848.18
    ethylene carbonate 1243.97
    cyrene 686.43
    2-ethoxyethyl acetate 1196.18
    2-ethylhexyl acetate 1427.43
    1,2,4-trichlorobenzene 1640.37
    4-methylpyridine 2297.18
    dibutyl ether 1514.57
    2,6-dimethyl-4-heptanol 755.92
    DEF 1509.47
    dimethyl isosorbide 1314.19
    tetrachloroethylene 2606.62
    eugenol 947.45
    triacetin 1137.63
    span 80 1037.74
    1,4-butanediol 643.24
    1,1-dichloroethane 3128.27
    2-methyl-1-pentanol 1394.25
    methyl formate 866.16
    2-methyl-1-butanol 1780.48
    n-decane 360.26
    butyronitrile 2176.95
    3,7-dimethyl-1-octanol 1243.62
    1-chlorooctane 1082.49
    1-chlorotetradecane 391.04
    n-nonane 405.12
    undecane 254.48
    tert-butylcyclohexane 497.99
    cyclooctane 261.26
    cyclopentanol 1952.51
    tetrahydropyran 2342.37
    tert-amyl methyl ether 1454.18
    2,5,8-trioxanonane 1224.26
    1-hexene 1819.94
    2-isopropoxyethanol 1034.28
    2,2,2-trifluoroethanol 539.96
    methyl butyrate 1438.44

    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