3-Hexanone, 2-methyl-, oxime

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  • Identifiers

    CAS number
    86460-54-0

    Molecular formula
    C7H15NO

    SMILES
    CCCC(=NO)C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 81.08%
    Vegetable 40.6%
    Herbal 39.34%
    Fermented 37.41%
    Fruity 36.96%
    Ethereal 36.96%
    Cocoa 35.75%
    Pungent 32.24%
    Fresh 31.73%
    Leafy 31.28%

     

    Flavor
    Green 45.89%
    Fruity 31.21%
    Herbal 28.56%
    Tropical 24.83%
    Spicy 22.01%
    Oily 21.19%
    Acrid 20.31%
    Earthy 19.52%
    Matches 19.3%
    Yeasty 19.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.01 (weak base)

    Molecular weight
    129.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    181°C

    Flash point

    • 76.49 ˚C est.

  • Synonyms

    • 3-Hexanone, 2-methyl-, oxime
    • 86460-54-0
    • DTXSID50888673
    • 2-methyl-3-hexanone-oxime
    • SCHEMBL2388108
    • DTXCID701027949
    • 638-756-4

  • Applications

    3-Hexanone, 2-methyl-, oxime (CAS 86460-54-0) is primarily used as an organic synthesis intermediate. In industry, it serves as a building block for the preparation of oxime derivatives and related carbonyl transformations, enabling downstream functionalization and diversification of chemical scaffolds. The compound may be employed as a precursor for pharmaceutical and agrochemical intermediates, and it is also used in polymer and resin chemistry as a functional unit or a crosslinking/curing component to adjust material properties. In coatings, inks, and adhesive formulations, oxime-containing intermediates are leveraged for synthesis or post-treatment steps. In research and development environments it is commonly evaluated as a versatile starting material for broader synthetic sequences.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 636.2
    methanol 689.38
    isopropanol 717.28
    water 0.99
    ethyl acetate 413.43
    n-propanol 580.89
    acetone 673.2
    n-butanol 541.57
    acetonitrile 574.33
    DMF 595.49
    toluene 211.49
    isobutanol 503.2
    1,4-dioxane 839.37
    methyl acetate 454.98
    THF 1443.08
    2-butanone 610.73
    n-pentanol 382.56
    sec-butanol 568.74
    n-hexane 156.67
    ethylene glycol 108.82
    NMP 900.35
    cyclohexane 157.78
    DMSO 759.17
    n-butyl acetate 612.7
    n-octanol 327.43
    chloroform 1806.9
    n-propyl acetate 346.01
    acetic acid 572.48
    dichloromethane 1376.61
    cyclohexanone 1030.38
    propylene glycol 188.26
    isopropyl acetate 281.27
    DMAc 387.61
    2-ethoxyethanol 367.89
    isopentanol 483.8
    n-heptane 81.18
    ethyl formate 338.3
    1,2-dichloroethane 829.33
    n-hexanol 590.35
    2-methoxyethanol 553.84
    isobutyl acetate 269.3
    tetrachloromethane 357.88
    n-pentyl acetate 399.16
    transcutol 1132.12
    n-heptanol 307.21
    ethylbenzene 192.35
    MIBK 336.94
    2-propoxyethanol 630.15
    tert-butanol 773.83
    MTBE 581.52
    2-butoxyethanol 415.34
    propionic acid 486.34
    o-xylene 183.42
    formic acid 133.91
    diethyl ether 457.75
    m-xylene 202.73
    p-xylene 261.54
    chlorobenzene 507.87
    dimethyl carbonate 98.63
    n-octane 48.82
    formamide 150.25
    cyclopentanone 1272.5
    2-pentanone 483.16
    anisole 292.52
    cyclopentyl methyl ether 619.05
    gamma-butyrolactone 1257.71
    1-methoxy-2-propanol 482.96
    pyridine 615.51
    3-pentanone 317.49
    furfural 813.44
    n-dodecane 36.8
    diethylene glycol 355.7
    diisopropyl ether 177.13
    tert-amyl alcohol 587.27
    acetylacetone 423.31
    n-hexadecane 42.7
    acetophenone 297.77
    methyl propionate 310.26
    isopentyl acetate 571.72
    trichloroethylene 1620.33
    n-nonanol 271.2
    cyclohexanol 525.61
    benzyl alcohol 251.4
    2-ethylhexanol 378.11
    isooctanol 269.15
    dipropyl ether 305.94
    1,2-dichlorobenzene 480.2
    ethyl lactate 170.66
    propylene carbonate 623.16
    n-methylformamide 363.68
    2-pentanol 411.26
    n-pentane 103.82
    1-propoxy-2-propanol 555.0
    1-methoxy-2-propyl acetate 376.31
    2-(2-methoxypropoxy) propanol 300.65
    mesitylene 149.6
    ε-caprolactone 798.06
    p-cymene 162.45
    epichlorohydrin 1123.33
    1,1,1-trichloroethane 975.93
    2-aminoethanol 239.19
    morpholine-4-carbaldehyde 641.99
    sulfolane 1542.26
    2,2,4-trimethylpentane 66.42
    2-methyltetrahydrofuran 1088.44
    n-hexyl acetate 566.74
    isooctane 59.07
    2-(2-butoxyethoxy)ethanol 436.12
    sec-butyl acetate 239.66
    tert-butyl acetate 369.78
    decalin 92.86
    glycerin 210.69
    diglyme 676.92
    acrylic acid 394.01
    isopropyl myristate 204.03
    n-butyric acid 651.51
    acetyl acetate 220.43
    di(2-ethylhexyl) phthalate 171.11
    ethyl propionate 263.46
    nitromethane 700.8
    1,2-diethoxyethane 476.13
    benzonitrile 474.2
    trioctyl phosphate 151.98
    1-bromopropane 627.6
    gamma-valerolactone 1108.94
    n-decanol 196.5
    triethyl phosphate 146.74
    4-methyl-2-pentanol 254.69
    propionitrile 518.69
    vinylene carbonate 519.95
    1,1,2-trichlorotrifluoroethane 672.13
    DMS 281.27
    cumene 155.53
    2-octanol 258.49
    2-hexanone 435.21
    octyl acetate 264.49
    limonene 243.88
    1,2-dimethoxyethane 617.42
    ethyl orthosilicate 147.94
    tributyl phosphate 183.72
    diacetone alcohol 420.82
    N,N-dimethylaniline 214.23
    acrylonitrile 542.09
    aniline 279.01
    1,3-propanediol 377.97
    bromobenzene 549.62
    dibromomethane 1010.76
    1,1,2,2-tetrachloroethane 1308.83
    2-methyl-cyclohexyl acetate 295.34
    tetrabutyl urea 215.67
    diisobutyl methanol 221.03
    2-phenylethanol 340.31
    styrene 217.47
    dioctyl adipate 240.68
    dimethyl sulfate 209.02
    ethyl butyrate 322.43
    methyl lactate 180.02
    butyl lactate 308.53
    diethyl carbonate 195.11
    propanediol butyl ether 422.15
    triethyl orthoformate 223.68
    p-tert-butyltoluene 160.95
    methyl 4-tert-butylbenzoate 295.64
    morpholine 893.37
    tert-butylamine 506.86
    n-dodecanol 146.26
    dimethoxymethane 319.02
    ethylene carbonate 408.66
    cyrene 267.7
    2-ethoxyethyl acetate 383.28
    2-ethylhexyl acetate 413.72
    1,2,4-trichlorobenzene 545.98
    4-methylpyridine 630.17
    dibutyl ether 342.9
    2,6-dimethyl-4-heptanol 221.03
    DEF 417.77
    dimethyl isosorbide 521.79
    tetrachloroethylene 849.35
    eugenol 302.3
    triacetin 332.71
    span 80 340.22
    1,4-butanediol 179.72
    1,1-dichloroethane 1037.15
    2-methyl-1-pentanol 356.86
    methyl formate 291.26
    2-methyl-1-butanol 445.97
    n-decane 65.66
    butyronitrile 595.24
    3,7-dimethyl-1-octanol 316.12
    1-chlorooctane 252.74
    1-chlorotetradecane 94.16
    n-nonane 70.43
    undecane 48.08
    tert-butylcyclohexane 100.78
    cyclooctane 52.83
    cyclopentanol 679.28
    tetrahydropyran 955.0
    tert-amyl methyl ether 366.21
    2,5,8-trioxanonane 401.18
    1-hexene 408.09
    2-isopropoxyethanol 302.15
    2,2,2-trifluoroethanol 170.04
    methyl butyrate 398.25

    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