Octanone-3-oxime

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  • Identifiers

    CAS number
    7207-50-3

    Molecular formula
    C8H17NO

    SMILES
    CCCCC/C(=N/O)/CC

    Safety labels

  • Odor profile

    Fragrance
    Green 86.21%
    Floral 53.17%
    Fresh 48.34%
    Vegetable 38.32%
    Leafy 38.1%
    Herbal 36.32%
    Fruity 32.82%
    Fatty 32.75%
    Sweet 31.29%
    Earthy 30.61%

     

    Flavor
    Green 49.78%
    Herbal 44.62%
    Fruity 33.29%
    Spicy 32.76%
    Mushroom 32.11%
    Fatty 31.16%
    Earthy 29.82%
    Floral 28.71%
    Oily 28.14%
    Fresh 27.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.93 (weak base)

    Molecular weight
    143.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    217°C

    Flash point

    • 98.16 ˚C est.

  • Synonyms

    • Octanone-3-oxime
    • 7207-50-3
    • SCHEMBL167678
    • 7207-50-3

  • Applications

    Octanone-3-oxime (CAS 7207-50-3) is a ketoxime typically used as an intermediate in organic synthesis to access oxime derivatives and related compounds; in industry it can serve as a precursor or processing aid for reactions forming oxime or Schiff base functionalities to develop specialty chemicals; it may also be used as a solvent or processing aid in manufacturing; additionally, it is studied as a building block for oxime derivatives used in materials science and catalysis; at limited use, it can be a research reagent or precursor for more complex oxime compounds in synthetic chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5328.52
    methanol 6097.0
    isopropanol 4779.06
    water 0.3
    ethyl acetate 3467.92
    n-propanol 4199.02
    acetone 7436.69
    n-butanol 3862.85
    acetonitrile 3955.23
    DMF 4540.98
    toluene 1337.58
    isobutanol 3039.58
    1,4-dioxane 3952.39
    methyl acetate 2514.02
    THF 6429.16
    2-butanone 4284.14
    n-pentanol 2305.5
    sec-butanol 3267.01
    n-hexane 847.26
    ethylene glycol 345.48
    NMP 3078.17
    cyclohexane 1081.09
    DMSO 6062.9
    n-butyl acetate 4170.67
    n-octanol 888.4
    chloroform 7280.94
    n-propyl acetate 2559.78
    acetic acid 3243.71
    dichloromethane 6713.32
    cyclohexanone 6842.19
    propylene glycol 623.54
    isopropyl acetate 1957.53
    DMAc 1695.21
    2-ethoxyethanol 1816.34
    isopentanol 3149.85
    n-heptane 330.6
    ethyl formate 2262.61
    1,2-dichloroethane 4809.46
    n-hexanol 2662.9
    2-methoxyethanol 3283.82
    isobutyl acetate 1320.51
    tetrachloromethane 1469.52
    n-pentyl acetate 1747.36
    transcutol 7212.76
    n-heptanol 910.76
    ethylbenzene 800.89
    MIBK 1731.34
    2-propoxyethanol 2727.94
    tert-butanol 4548.14
    MTBE 3493.34
    2-butoxyethanol 1438.37
    propionic acid 2312.74
    o-xylene 724.41
    formic acid 662.72
    diethyl ether 3891.93
    m-xylene 841.97
    p-xylene 1075.02
    chlorobenzene 2537.4
    dimethyl carbonate 411.96
    n-octane 119.89
    formamide 1103.12
    cyclopentanone 6010.29
    2-pentanone 3820.84
    anisole 1263.42
    cyclopentyl methyl ether 3025.82
    gamma-butyrolactone 5206.97
    1-methoxy-2-propanol 2425.87
    pyridine 4677.18
    3-pentanone 1887.35
    furfural 3524.93
    n-dodecane 63.09
    diethylene glycol 1218.37
    diisopropyl ether 927.26
    tert-amyl alcohol 2974.46
    acetylacetone 2506.56
    n-hexadecane 75.51
    acetophenone 1136.34
    methyl propionate 1805.63
    isopentyl acetate 2929.01
    trichloroethylene 8168.52
    n-nonanol 718.19
    cyclohexanol 3170.82
    benzyl alcohol 1094.98
    2-ethylhexanol 1577.88
    isooctanol 748.99
    dipropyl ether 1922.04
    1,2-dichlorobenzene 1908.96
    ethyl lactate 548.83
    propylene carbonate 2329.72
    n-methylformamide 2622.92
    2-pentanol 2479.18
    n-pentane 561.1
    1-propoxy-2-propanol 2414.83
    1-methoxy-2-propyl acetate 1741.49
    2-(2-methoxypropoxy) propanol 917.81
    mesitylene 537.19
    ε-caprolactone 4371.51
    p-cymene 500.39
    epichlorohydrin 5142.37
    1,1,1-trichloroethane 4677.18
    2-aminoethanol 1056.82
    morpholine-4-carbaldehyde 2599.55
    sulfolane 4787.01
    2,2,4-trimethylpentane 195.13
    2-methyltetrahydrofuran 5755.86
    n-hexyl acetate 1918.9
    isooctane 168.64
    2-(2-butoxyethoxy)ethanol 1575.52
    sec-butyl acetate 1355.23
    tert-butyl acetate 1817.9
    decalin 323.04
    glycerin 692.51
    diglyme 2873.75
    acrylic acid 1652.49
    isopropyl myristate 554.47
    n-butyric acid 4459.93
    acetyl acetate 1272.61
    di(2-ethylhexyl) phthalate 424.46
    ethyl propionate 1573.76
    nitromethane 4495.72
    1,2-diethoxyethane 3117.85
    benzonitrile 2383.66
    trioctyl phosphate 359.98
    1-bromopropane 3629.33
    gamma-valerolactone 5498.43
    n-decanol 467.1
    triethyl phosphate 439.91
    4-methyl-2-pentanol 1092.0
    propionitrile 3358.69
    vinylene carbonate 2002.09
    1,1,2-trichlorotrifluoroethane 2833.08
    DMS 880.89
    cumene 485.2
    2-octanol 711.34
    2-hexanone 2828.51
    octyl acetate 692.45
    limonene 943.28
    1,2-dimethoxyethane 3734.11
    ethyl orthosilicate 477.5
    tributyl phosphate 519.47
    diacetone alcohol 1734.93
    N,N-dimethylaniline 735.9
    acrylonitrile 3351.67
    aniline 1818.86
    1,3-propanediol 1824.76
    bromobenzene 2703.8
    dibromomethane 5136.5
    1,1,2,2-tetrachloroethane 6015.01
    2-methyl-cyclohexyl acetate 992.84
    tetrabutyl urea 617.77
    diisobutyl methanol 774.7
    2-phenylethanol 1252.62
    styrene 1165.16
    dioctyl adipate 698.7
    dimethyl sulfate 730.05
    ethyl butyrate 1837.88
    methyl lactate 604.5
    butyl lactate 1078.25
    diethyl carbonate 818.28
    propanediol butyl ether 1290.42
    triethyl orthoformate 939.15
    p-tert-butyltoluene 460.7
    methyl 4-tert-butylbenzoate 748.5
    morpholine 5760.36
    tert-butylamine 3040.15
    n-dodecanol 326.71
    dimethoxymethane 2020.92
    ethylene carbonate 1829.51
    cyrene 684.56
    2-ethoxyethyl acetate 1790.44
    2-ethylhexyl acetate 2035.43
    1,2,4-trichlorobenzene 2000.28
    4-methylpyridine 4465.9
    dibutyl ether 1649.21
    2,6-dimethyl-4-heptanol 774.7
    DEF 3241.27
    dimethyl isosorbide 1507.91
    tetrachloroethylene 4057.81
    eugenol 824.51
    triacetin 1044.81
    span 80 1062.83
    1,4-butanediol 651.89
    1,1-dichloroethane 5862.98
    2-methyl-1-pentanol 1849.05
    methyl formate 1606.85
    2-methyl-1-butanol 2593.88
    n-decane 138.03
    butyronitrile 4466.07
    3,7-dimethyl-1-octanol 930.89
    1-chlorooctane 688.51
    1-chlorotetradecane 192.61
    n-nonane 151.67
    undecane 88.03
    tert-butylcyclohexane 295.4
    cyclooctane 224.94
    cyclopentanol 3246.51
    tetrahydropyran 6694.88
    tert-amyl methyl ether 1785.71
    2,5,8-trioxanonane 1480.04
    1-hexene 2829.63
    2-isopropoxyethanol 1298.59
    2,2,2-trifluoroethanol 624.54
    methyl butyrate 2838.98

    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