3-Methyl-5-heptanone oxime

Overview IFRA Request a quote

  • Identifiers

    CAS number
    22457-23-4

    Molecular formula
    C8H17NO

    SMILES
    CCC(C)CC(=NO)CC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 82.33%
    Leafy 37.19%
    Floral 35.44%
    Vegetable 35.29%
    Fresh 35.19%
    Herbal 30.13%
    Cortex 26.09%
    Citrus 24.84%
    Earthy 24.49%
    Metallic 23.4%

     

    Flavor
    Green 56.49%
    Herbal 38.84%
    Fruity 31.82%
    Spicy 27.61%
    Oily 25.4%
    Earthy 24.52%
    Tropical 23.21%
    Fresh 22.95%
    Floral 22.47%
    Mushroom 21.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    10.32 (weak base)

    Molecular weight
    143.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    205°C

    Flash point

    • 90.5 ˚C est.

  • Synonyms

    • 5-Methylheptan-3-one oxime
    • Stemone
    • 3-Heptanone, 5-methyl-, oxime
    • 3-Methyl-5-heptanone oxime
    • Ethyl 2-methylbutyl ketoxime
    • 5-Methyl-3-heptanone oxime
    • Ethyl 2-methylbutyl ketoxine
    • 22457-23-4
    • EINECS 245-010-8
    • XHN6C9A7U3
    • NSC 166310
    • BRN 1923529
    • NSC-166310
    • UNII-XHN6C9A7U3
    • 5-methyl-heptan-3-one oxime
    • DTXSID9051874
    • N-(5-Methyl-3-heptanylidene)hydroxylamine
    • DB-045927
    • NS00012900
    • NS00100374

  • Applications

    3-Methyl-5-heptanone oxime (CAS 22457-23-4) is primarily used as an odorant in perfumery and in cosmetics/personal care; it is also commonly evaluated as an organic synthesis intermediate, providing the oxime functionality for subsequent transformations; as a building block for specialty materials in the polymers, coatings, and adhesives sectors; and it may serve as a precursor in industrial manufacturing processes to access oxime derivatives and related chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 554.77
    methanol 319.44
    isopropanol 709.07
    water 0.24
    ethyl acetate 292.16
    n-propanol 481.76
    acetone 494.32
    n-butanol 472.76
    acetonitrile 347.69
    DMF 510.09
    toluene 186.69
    isobutanol 449.71
    1,4-dioxane 618.2
    methyl acetate 287.42
    THF 980.02
    2-butanone 481.8
    n-pentanol 314.23
    sec-butanol 532.54
    n-hexane 70.13
    ethylene glycol 64.84
    NMP 486.1
    cyclohexane 110.6
    DMSO 591.74
    n-butyl acetate 543.26
    n-octanol 256.22
    chloroform 1391.33
    n-propyl acetate 247.29
    acetic acid 306.13
    dichloromethane 1149.99
    cyclohexanone 815.16
    propylene glycol 152.25
    isopropyl acetate 203.84
    DMAc 314.42
    2-ethoxyethanol 267.17
    isopentanol 427.33
    n-heptane 56.37
    ethyl formate 274.99
    1,2-dichloroethane 628.81
    n-hexanol 535.03
    2-methoxyethanol 442.91
    isobutyl acetate 181.12
    tetrachloromethane 233.67
    n-pentyl acetate 274.33
    transcutol 919.77
    n-heptanol 240.05
    ethylbenzene 141.9
    MIBK 231.54
    2-propoxyethanol 507.08
    tert-butanol 690.7
    MTBE 437.28
    2-butoxyethanol 318.08
    propionic acid 310.28
    o-xylene 153.0
    formic acid 58.24
    diethyl ether 285.91
    m-xylene 156.46
    p-xylene 201.92
    chlorobenzene 372.52
    dimethyl carbonate 61.0
    n-octane 28.11
    formamide 80.31
    cyclopentanone 778.68
    2-pentanone 359.82
    anisole 232.16
    cyclopentyl methyl ether 353.42
    gamma-butyrolactone 731.72
    1-methoxy-2-propanol 404.83
    pyridine 579.6
    3-pentanone 207.47
    furfural 620.47
    n-dodecane 25.09
    diethylene glycol 267.69
    diisopropyl ether 100.82
    tert-amyl alcohol 482.23
    acetylacetone 301.91
    n-hexadecane 28.85
    acetophenone 237.16
    methyl propionate 198.4
    isopentyl acetate 487.73
    trichloroethylene 1234.66
    n-nonanol 204.25
    cyclohexanol 449.43
    benzyl alcohol 223.63
    2-ethylhexanol 328.0
    isooctanol 198.72
    dipropyl ether 232.94
    1,2-dichlorobenzene 340.45
    ethyl lactate 121.11
    propylene carbonate 446.42
    n-methylformamide 233.85
    2-pentanol 345.73
    n-pentane 58.34
    1-propoxy-2-propanol 468.29
    1-methoxy-2-propyl acetate 324.8
    2-(2-methoxypropoxy) propanol 277.12
    mesitylene 117.97
    ε-caprolactone 603.73
    p-cymene 144.33
    epichlorohydrin 812.61
    1,1,1-trichloroethane 694.16
    2-aminoethanol 173.29
    morpholine-4-carbaldehyde 468.44
    sulfolane 813.39
    2,2,4-trimethylpentane 39.6
    2-methyltetrahydrofuran 760.7
    n-hexyl acetate 385.77
    isooctane 36.19
    2-(2-butoxyethoxy)ethanol 373.1
    sec-butyl acetate 166.97
    tert-butyl acetate 235.71
    decalin 57.4
    glycerin 157.53
    diglyme 589.32
    acrylic acid 216.01
    isopropyl myristate 147.6
    n-butyric acid 507.95
    acetyl acetate 157.5
    di(2-ethylhexyl) phthalate 142.07
    ethyl propionate 172.63
    nitromethane 405.42
    1,2-diethoxyethane 366.6
    benzonitrile 406.72
    trioctyl phosphate 118.45
    1-bromopropane 511.55
    gamma-valerolactone 824.8
    n-decanol 148.83
    triethyl phosphate 118.25
    4-methyl-2-pentanol 199.3
    propionitrile 366.28
    vinylene carbonate 382.61
    1,1,2-trichlorotrifluoroethane 474.24
    DMS 183.74
    cumene 117.38
    2-octanol 190.49
    2-hexanone 317.4
    octyl acetate 189.25
    limonene 223.13
    1,2-dimethoxyethane 494.29
    ethyl orthosilicate 112.65
    tributyl phosphate 137.96
    diacetone alcohol 322.01
    N,N-dimethylaniline 165.45
    acrylonitrile 390.29
    aniline 253.3
    1,3-propanediol 297.8
    bromobenzene 404.5
    dibromomethane 876.32
    1,1,2,2-tetrachloroethane 999.58
    2-methyl-cyclohexyl acetate 243.47
    tetrabutyl urea 170.02
    diisobutyl methanol 190.61
    2-phenylethanol 296.11
    styrene 169.11
    dioctyl adipate 194.5
    dimethyl sulfate 119.25
    ethyl butyrate 271.85
    methyl lactate 123.32
    butyl lactate 230.36
    diethyl carbonate 161.26
    propanediol butyl ether 351.65
    triethyl orthoformate 180.44
    p-tert-butyltoluene 139.11
    methyl 4-tert-butylbenzoate 236.23
    morpholine 784.8
    tert-butylamine 447.97
    n-dodecanol 112.57
    dimethoxymethane 224.18
    ethylene carbonate 311.23
    cyrene 209.96
    2-ethoxyethyl acetate 279.03
    2-ethylhexyl acetate 346.34
    1,2,4-trichlorobenzene 401.94
    4-methylpyridine 561.62
    dibutyl ether 256.47
    2,6-dimethyl-4-heptanol 190.61
    DEF 303.39
    dimethyl isosorbide 436.53
    tetrachloroethylene 586.28
    eugenol 238.45
    triacetin 250.4
    span 80 313.79
    1,4-butanediol 131.51
    1,1-dichloroethane 830.13
    2-methyl-1-pentanol 297.77
    methyl formate 171.03
    2-methyl-1-butanol 381.06
    n-decane 41.66
    butyronitrile 489.53
    3,7-dimethyl-1-octanol 255.49
    1-chlorooctane 173.86
    1-chlorotetradecane 66.48
    n-nonane 41.61
    undecane 31.66
    tert-butylcyclohexane 59.23
    cyclooctane 33.23
    cyclopentanol 519.13
    tetrahydropyran 773.16
    tert-amyl methyl ether 251.71
    2,5,8-trioxanonane 384.18
    1-hexene 243.84
    2-isopropoxyethanol 226.34
    2,2,2-trifluoroethanol 82.78
    methyl butyrate 290.5

    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