6-Methylhept-5-en-2-one oxime

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  • Identifiers

    CAS number
    22418-73-1

    Molecular formula
    C8H15NO

    SMILES
    CC(=CCCC(=NO)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 77.6%
    Floral 64.17%
    Citrus 56.07%
    Fresh 54.18%
    Lemon 45.1%
    Herbal 43.11%
    Leafy 36.26%
    Rose 35.53%
    Sweet 35.17%
    Aldehydic 35.04%

     

    Flavor
    Green 61.44%
    Floral 50.15%
    Sweet 44.94%
    Citrus 42.98%
    Herbal 42.64%
    Spicy 41.72%
    Woody 38.8%
    Earthy 34.13%
    Lemon 32.38%
    Fruity 31.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.0 (weak base)

    Molecular weight
    141.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    221°C

    Flash point

    • 95.48 ˚C est.

  • Synonyms

    • 6-Methylhept-5-en-2-one oxime
    • 22418-73-1
    • EINECS 244-984-1
    • N-(6-methylhept-5-en-2-ylidene)hydroxylamine
    • SCHEMBL5796383
    • DTXSID80945086
    • UUTIAUFCXVFAOM-UHFFFAOYSA-N
    • NS00050122
    • 22418-73-1

  • Applications

    6-Methylhept-5-en-2-one oxime (CAS 22418-73-1) has practical applications primarily in fragrance and cosmetics as an odorant or fragrance ingredient in perfumery and personal care formulations, and may be used as an aroma component in certain household products; it is also employed as a chemical intermediate in industrial manufacturing, enabling transformations such as Beckmann rearrangement to amides or reduction to amines for the synthesis of specialty compounds for pharmaceuticals or agrochemicals; in organic synthesis, the oxime functionality provides a handle for assembling complex molecules in research and development of specialty chemicals; where appropriate, use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 440.58
    methanol 438.29
    isopropanol 349.06
    water 0.96
    ethyl acetate 236.97
    n-propanol 337.75
    acetone 378.77
    n-butanol 381.46
    acetonitrile 246.89
    DMF 367.29
    toluene 148.7
    isobutanol 242.97
    1,4-dioxane 445.39
    methyl acetate 222.17
    THF 668.31
    2-butanone 322.2
    n-pentanol 272.28
    sec-butanol 309.18
    n-hexane 108.68
    ethylene glycol 64.55
    NMP 455.9
    cyclohexane 84.94
    DMSO 513.84
    n-butyl acetate 300.95
    n-octanol 152.96
    chloroform 900.45
    n-propyl acetate 201.99
    acetic acid 357.82
    dichloromethane 666.64
    cyclohexanone 463.36
    propylene glycol 121.0
    isopropyl acetate 165.01
    DMAc 333.77
    2-ethoxyethanol 273.4
    isopentanol 332.56
    n-heptane 46.33
    ethyl formate 160.0
    1,2-dichloroethane 347.28
    n-hexanol 323.93
    2-methoxyethanol 393.95
    isobutyl acetate 137.94
    tetrachloromethane 192.31
    n-pentyl acetate 162.59
    transcutol 1363.34
    n-heptanol 146.85
    ethylbenzene 115.56
    MIBK 182.43
    2-propoxyethanol 361.62
    tert-butanol 432.12
    MTBE 317.64
    2-butoxyethanol 236.3
    propionic acid 233.93
    o-xylene 124.93
    formic acid 125.41
    diethyl ether 273.45
    m-xylene 131.8
    p-xylene 161.69
    chlorobenzene 221.69
    dimethyl carbonate 64.96
    n-octane 15.17
    formamide 166.7
    cyclopentanone 510.8
    2-pentanone 284.09
    anisole 213.56
    cyclopentyl methyl ether 330.97
    gamma-butyrolactone 458.59
    1-methoxy-2-propanol 313.91
    pyridine 363.28
    3-pentanone 190.15
    furfural 439.33
    n-dodecane 9.19
    diethylene glycol 220.13
    diisopropyl ether 94.99
    tert-amyl alcohol 385.09
    acetylacetone 246.89
    n-hexadecane 10.54
    acetophenone 208.56
    methyl propionate 171.33
    isopentyl acetate 277.99
    trichloroethylene 783.3
    n-nonanol 130.58
    cyclohexanol 298.64
    benzyl alcohol 184.33
    2-ethylhexanol 211.62
    isooctanol 117.18
    dipropyl ether 197.6
    1,2-dichlorobenzene 235.32
    ethyl lactate 101.31
    propylene carbonate 280.54
    n-methylformamide 196.68
    2-pentanol 269.98
    n-pentane 71.78
    1-propoxy-2-propanol 312.64
    1-methoxy-2-propyl acetate 245.82
    2-(2-methoxypropoxy) propanol 264.19
    mesitylene 95.86
    ε-caprolactone 385.94
    p-cymene 94.55
    epichlorohydrin 492.82
    1,1,1-trichloroethane 447.52
    2-aminoethanol 169.33
    morpholine-4-carbaldehyde 430.57
    sulfolane 553.52
    2,2,4-trimethylpentane 39.74
    2-methyltetrahydrofuran 574.3
    n-hexyl acetate 264.75
    isooctane 28.33
    2-(2-butoxyethoxy)ethanol 368.89
    sec-butyl acetate 148.89
    tert-butyl acetate 217.98
    decalin 52.34
    glycerin 146.55
    diglyme 548.89
    acrylic acid 194.06
    isopropyl myristate 92.75
    n-butyric acid 360.81
    acetyl acetate 149.72
    di(2-ethylhexyl) phthalate 109.92
    ethyl propionate 150.23
    nitromethane 364.94
    1,2-diethoxyethane 327.13
    benzonitrile 222.46
    trioctyl phosphate 73.66
    1-bromopropane 275.05
    gamma-valerolactone 545.25
    n-decanol 89.83
    triethyl phosphate 102.61
    4-methyl-2-pentanol 152.03
    propionitrile 217.14
    vinylene carbonate 236.05
    1,1,2-trichlorotrifluoroethane 435.94
    DMS 157.48
    cumene 95.67
    2-octanol 99.03
    2-hexanone 249.06
    octyl acetate 116.81
    limonene 151.41
    1,2-dimethoxyethane 412.76
    ethyl orthosilicate 108.92
    tributyl phosphate 103.72
    diacetone alcohol 281.46
    N,N-dimethylaniline 162.34
    acrylonitrile 216.59
    aniline 227.31
    1,3-propanediol 244.22
    bromobenzene 221.05
    dibromomethane 510.3
    1,1,2,2-tetrachloroethane 697.1
    2-methyl-cyclohexyl acetate 194.09
    tetrabutyl urea 122.52
    diisobutyl methanol 123.38
    2-phenylethanol 193.75
    styrene 134.81
    dioctyl adipate 148.04
    dimethyl sulfate 117.32
    ethyl butyrate 194.02
    methyl lactate 110.23
    butyl lactate 154.79
    diethyl carbonate 122.32
    propanediol butyl ether 284.97
    triethyl orthoformate 151.5
    p-tert-butyltoluene 92.16
    methyl 4-tert-butylbenzoate 193.06
    morpholine 573.38
    tert-butylamine 329.05
    n-dodecanol 63.94
    dimethoxymethane 188.49
    ethylene carbonate 193.22
    cyrene 214.4
    2-ethoxyethyl acetate 213.98
    2-ethylhexyl acetate 220.76
    1,2,4-trichlorobenzene 287.22
    4-methylpyridine 373.23
    dibutyl ether 182.76
    2,6-dimethyl-4-heptanol 123.38
    DEF 268.92
    dimethyl isosorbide 387.83
    tetrachloroethylene 460.52
    eugenol 186.61
    triacetin 227.62
    span 80 259.25
    1,4-butanediol 108.81
    1,1-dichloroethane 427.8
    2-methyl-1-pentanol 273.25
    methyl formate 125.82
    2-methyl-1-butanol 312.26
    n-decane 19.02
    butyronitrile 287.56
    3,7-dimethyl-1-octanol 166.86
    1-chlorooctane 93.15
    1-chlorotetradecane 30.15
    n-nonane 19.72
    undecane 12.52
    tert-butylcyclohexane 53.5
    cyclooctane 30.45
    cyclopentanol 272.58
    tetrahydropyran 518.9
    tert-amyl methyl ether 242.26
    2,5,8-trioxanonane 385.08
    1-hexene 271.71
    2-isopropoxyethanol 204.11
    2,2,2-trifluoroethanol 106.7
    methyl butyrate 224.42

    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