2,4,4,7-Tetramethylnona-6,8-dien-3-one oxime

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  • Identifiers

    CAS number
    81783-01-9

    Molecular formula
    C13H23NO

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

  • Odor profile

    Fragrance
    Herbal 73.64%
    Green 67.4%
    Floral 65.41%
    Citrus 61.94%
    Fresh 48.88%
    Rose 44.67%
    Grapefruit 43.74%
    Lemon 42.12%
    Woody 39.45%
    Leafy 35.25%

     

    Flavor
    Herbal 40.8%
    Green 38.28%
    Herb 30.97%
    Woody 30.39%
    Citrus 26.63%
    Wood 22.78%
    Bergamot 22.35%
    Ocimene 21.44%
    Lavender 21.38%
    Oriental 21.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.79 (weak base)

    Molecular weight
    209.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 123.04 ˚C est.

  • Synonyms

    • Labienoxime
    • 2,4,4,7-Tetramethylnona-6,8-dien-3-one oxime
    • EINECS 279-817-1
    • 6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-, oxime
    • 81783-01-9
    • DTXSID3052561
    • DTXCID0031134
    • CHEBI:172451
    • (NZ)-N-[(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-ylidene]hydroxylamine
    • (Z)-N-[(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-ylidene]hydroxylamine
    • 279-817-1

  • Applications

    2,4,4,7-Tetramethylnona-6,8-dien-3-one oxime (CAS 81783-01-9) is primarily used as an intermediate and odorant in fragrance chemistry, contributing to musk-like and floral scent profiles and can function as a fixative in perfumery. It is often evaluated for cosmetic/personal care applications as a fragrance ingredient. In industrial manufacturing, it serves as a precursor to aroma compounds and as a processing aid in fragrance synthesis. In polymers/plastics, coatings, and inks, it may be employed as a fragrance additive to adjust scent release in finished products. It can also be used in household cleaning products to provide a distinctive odor profile, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1152.77
    methanol 881.73
    isopropanol 1252.73
    water 0.23
    ethyl acetate 1860.76
    n-propanol 1282.52
    acetone 1933.38
    n-butanol 1344.02
    acetonitrile 1154.47
    DMF 2083.35
    toluene 1867.72
    isobutanol 1276.37
    1,4-dioxane 2394.53
    methyl acetate 1422.62
    THF 4776.66
    2-butanone 2134.03
    n-pentanol 995.79
    sec-butanol 1550.36
    n-hexane 1120.9
    ethylene glycol 58.62
    NMP 2278.68
    cyclohexane 1270.95
    DMSO 1070.38
    n-butyl acetate 1802.92
    n-octanol 625.75
    chloroform 3793.82
    n-propyl acetate 1086.0
    acetic acid 736.3
    dichloromethane 2958.98
    cyclohexanone 3382.69
    propylene glycol 179.3
    isopropyl acetate 1446.78
    DMAc 1594.95
    2-ethoxyethanol 745.15
    isopentanol 1402.22
    n-heptane 392.91
    ethyl formate 763.58
    1,2-dichloroethane 2406.89
    n-hexanol 1716.09
    2-methoxyethanol 1084.83
    isobutyl acetate 771.87
    tetrachloromethane 948.75
    n-pentyl acetate 1001.42
    transcutol 2826.26
    n-heptanol 639.16
    ethylbenzene 939.21
    MIBK 1437.14
    2-propoxyethanol 1493.23
    tert-butanol 1831.87
    MTBE 3206.43
    2-butoxyethanol 802.61
    propionic acid 728.61
    o-xylene 1058.81
    formic acid 153.76
    diethyl ether 2674.15
    m-xylene 1414.97
    p-xylene 1138.12
    chlorobenzene 1691.49
    dimethyl carbonate 481.31
    n-octane 135.44
    formamide 250.13
    cyclopentanone 3252.36
    2-pentanone 2155.83
    anisole 1092.76
    cyclopentyl methyl ether 3283.29
    gamma-butyrolactone 2618.09
    1-methoxy-2-propanol 1186.47
    pyridine 2049.57
    3-pentanone 1665.32
    furfural 1689.79
    n-dodecane 60.39
    diethylene glycol 520.86
    diisopropyl ether 1159.18
    tert-amyl alcohol 1880.73
    acetylacetone 1489.86
    n-hexadecane 74.19
    acetophenone 857.75
    methyl propionate 1325.54
    isopentyl acetate 1662.31
    trichloroethylene 4300.89
    n-nonanol 525.03
    cyclohexanol 1943.67
    benzyl alcohol 672.12
    2-ethylhexanol 994.6
    isooctanol 549.71
    dipropyl ether 1216.5
    1,2-dichlorobenzene 1341.18
    ethyl lactate 355.06
    propylene carbonate 1352.25
    n-methylformamide 807.97
    2-pentanol 1429.08
    n-pentane 786.91
    1-propoxy-2-propanol 1261.41
    1-methoxy-2-propyl acetate 1416.75
    2-(2-methoxypropoxy) propanol 579.74
    mesitylene 888.73
    ε-caprolactone 2235.69
    p-cymene 492.64
    epichlorohydrin 3191.69
    1,1,1-trichloroethane 3216.76
    2-aminoethanol 246.05
    morpholine-4-carbaldehyde 1763.95
    sulfolane 2446.01
    2,2,4-trimethylpentane 364.4
    2-methyltetrahydrofuran 4250.49
    n-hexyl acetate 1427.68
    isooctane 303.79
    2-(2-butoxyethoxy)ethanol 902.66
    sec-butyl acetate 929.05
    tert-butyl acetate 1700.33
    decalin 451.99
    glycerin 186.53
    diglyme 1492.47
    acrylic acid 490.22
    isopropyl myristate 447.58
    n-butyric acid 1264.07
    acetyl acetate 870.64
    di(2-ethylhexyl) phthalate 320.2
    ethyl propionate 961.03
    nitromethane 1295.25
    1,2-diethoxyethane 1461.44
    benzonitrile 1003.18
    trioctyl phosphate 269.37
    1-bromopropane 2354.02
    gamma-valerolactone 2869.17
    n-decanol 349.15
    triethyl phosphate 361.25
    4-methyl-2-pentanol 892.09
    propionitrile 1229.45
    vinylene carbonate 1043.84
    1,1,2-trichlorotrifluoroethane 1343.93
    DMS 783.34
    cumene 579.79
    2-octanol 539.69
    2-hexanone 1393.51
    octyl acetate 543.37
    limonene 848.68
    1,2-dimethoxyethane 1602.77
    ethyl orthosilicate 405.69
    tributyl phosphate 354.72
    diacetone alcohol 1268.15
    N,N-dimethylaniline 764.09
    acrylonitrile 1041.61
    aniline 1231.81
    1,3-propanediol 461.04
    bromobenzene 1911.68
    dibromomethane 2405.05
    1,1,2,2-tetrachloroethane 3335.91
    2-methyl-cyclohexyl acetate 787.71
    tetrabutyl urea 430.57
    diisobutyl methanol 533.31
    2-phenylethanol 906.98
    styrene 981.19
    dioctyl adipate 462.41
    dimethyl sulfate 678.01
    ethyl butyrate 964.59
    methyl lactate 429.55
    butyl lactate 624.53
    diethyl carbonate 529.02
    propanediol butyl ether 652.56
    triethyl orthoformate 650.7
    p-tert-butyltoluene 517.26
    methyl 4-tert-butylbenzoate 723.01
    morpholine 2933.0
    tert-butylamine 1537.73
    n-dodecanol 245.28
    dimethoxymethane 1461.01
    ethylene carbonate 929.47
    cyrene 543.68
    2-ethoxyethyl acetate 1048.45
    2-ethylhexyl acetate 1374.34
    1,2,4-trichlorobenzene 1452.75
    4-methylpyridine 2608.16
    dibutyl ether 1055.82
    2,6-dimethyl-4-heptanol 533.31
    DEF 1939.32
    dimethyl isosorbide 1211.83
    tetrachloroethylene 2104.81
    eugenol 591.83
    triacetin 723.82
    span 80 627.12
    1,4-butanediol 203.6
    1,1-dichloroethane 3077.82
    2-methyl-1-pentanol 1059.44
    methyl formate 622.51
    2-methyl-1-butanol 1517.04
    n-decane 141.05
    butyronitrile 1522.81
    3,7-dimethyl-1-octanol 685.81
    1-chlorooctane 608.65
    1-chlorotetradecane 177.97
    n-nonane 162.03
    undecane 87.3
    tert-butylcyclohexane 423.16
    cyclooctane 455.22
    cyclopentanol 1626.33
    tetrahydropyran 4318.9
    tert-amyl methyl ether 2244.42
    2,5,8-trioxanonane 814.3
    1-hexene 2037.83
    2-isopropoxyethanol 662.45
    2,2,2-trifluoroethanol 261.75
    methyl butyrate 1230.39

    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