2,4,4-Trimethylnona-6,8-dien-3-one oxime

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  • Identifiers

    CAS number
    84625-53-6

    Molecular formula
    C12H21NO

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 68.65%
    Green 68.04%
    Floral 55.78%
    Citrus 51.96%
    Fresh 44.53%
    Woody 37.83%
    Grapefruit 35.74%
    Spicy 33.95%
    Leafy 33.21%
    Lemon 32.46%

     

    Flavor
    Herbal 25.89%
    Citrus 25.27%
    Green 23.7%
    Woody 21.4%
    Oriental 20.89%
    Ocimene 20.64%
    Mouldy 20.42%
    Herb 19.87%
    Low 19.84%
    Diterpene 19.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.8 (weak base)

    Molecular weight
    195.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    271°C

    Flash point

    • 123.47 ˚C est.

  • Synonyms

    • 2,4,4-Trimethylnona-6,8-dien-3-one oxime
    • 84625-53-6
    • EINECS 283-424-0
    • JZVFMABEZCKLSU-ZXAHDXGASA-N
    • 84625-53-6

  • Applications

    2,4,4-Trimethylnona-6,8-dien-3-one oxime (CAS 84625-53-6) is primarily used as an organic synthesis intermediate. In fragrance chemistry it may function as an odorant and/or fragrance fixative, contributing to scent profile and longevity. In cosmetics and personal care it can serve as a fragrance ingredient, while in household products it may be added to achieve a desired scent. In industrial manufacturing it appears as a specialty intermediate for the preparation of related aroma compounds or other functional chemicals. It may also find use in coatings and inks as a fragrance additive or as part of a route to specialty materials. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1028.39
    methanol 918.18
    isopropanol 859.37
    water 0.16
    ethyl acetate 1120.06
    n-propanol 922.51
    acetone 1347.32
    n-butanol 929.38
    acetonitrile 817.83
    DMF 1301.39
    toluene 1093.89
    isobutanol 809.35
    1,4-dioxane 1700.7
    methyl acetate 881.7
    THF 3758.45
    2-butanone 1288.03
    n-pentanol 706.78
    sec-butanol 924.05
    n-hexane 648.59
    ethylene glycol 47.43
    NMP 1599.0
    cyclohexane 886.69
    DMSO 761.72
    n-butyl acetate 1341.48
    n-octanol 429.06
    chloroform 2583.77
    n-propyl acetate 710.21
    acetic acid 563.16
    dichloromethane 2140.06
    cyclohexanone 2324.42
    propylene glycol 125.38
    isopropyl acetate 812.37
    DMAc 842.85
    2-ethoxyethanol 495.82
    isopentanol 894.34
    n-heptane 333.72
    ethyl formate 582.98
    1,2-dichloroethane 1545.33
    n-hexanol 1285.84
    2-methoxyethanol 766.79
    isobutyl acetate 509.25
    tetrachloromethane 548.75
    n-pentyl acetate 672.39
    transcutol 1774.18
    n-heptanol 437.24
    ethylbenzene 538.86
    MIBK 840.76
    2-propoxyethanol 1117.79
    tert-butanol 1098.45
    MTBE 1503.33
    2-butoxyethanol 503.99
    propionic acid 511.56
    o-xylene 579.46
    formic acid 118.7
    diethyl ether 1636.87
    m-xylene 820.84
    p-xylene 642.1
    chlorobenzene 1154.66
    dimethyl carbonate 286.93
    n-octane 104.08
    formamide 170.99
    cyclopentanone 2371.85
    2-pentanone 1345.46
    anisole 630.57
    cyclopentyl methyl ether 1995.11
    gamma-butyrolactone 2044.35
    1-methoxy-2-propanol 784.33
    pyridine 1402.52
    3-pentanone 914.66
    furfural 1177.44
    n-dodecane 53.65
    diethylene glycol 388.01
    diisopropyl ether 614.34
    tert-amyl alcohol 957.62
    acetylacetone 887.24
    n-hexadecane 64.21
    acetophenone 532.21
    methyl propionate 784.63
    isopentyl acetate 1153.03
    trichloroethylene 2791.52
    n-nonanol 346.55
    cyclohexanol 1235.4
    benzyl alcohol 437.33
    2-ethylhexanol 726.34
    isooctanol 356.23
    dipropyl ether 876.28
    1,2-dichlorobenzene 865.7
    ethyl lactate 233.73
    propylene carbonate 1068.72
    n-methylformamide 558.23
    2-pentanol 854.03
    n-pentane 501.2
    1-propoxy-2-propanol 882.89
    1-methoxy-2-propyl acetate 906.53
    2-(2-methoxypropoxy) propanol 402.48
    mesitylene 509.43
    ε-caprolactone 1565.48
    p-cymene 353.94
    epichlorohydrin 2272.5
    1,1,1-trichloroethane 1920.58
    2-aminoethanol 175.72
    morpholine-4-carbaldehyde 1092.5
    sulfolane 1843.15
    2,2,4-trimethylpentane 192.63
    2-methyltetrahydrofuran 2844.81
    n-hexyl acetate 913.23
    isooctane 190.41
    2-(2-butoxyethoxy)ethanol 582.22
    sec-butyl acetate 536.4
    tert-butyl acetate 929.94
    decalin 275.57
    glycerin 122.54
    diglyme 962.43
    acrylic acid 341.7
    isopropyl myristate 322.59
    n-butyric acid 891.43
    acetyl acetate 539.59
    di(2-ethylhexyl) phthalate 237.88
    ethyl propionate 577.49
    nitromethane 899.9
    1,2-diethoxyethane 952.67
    benzonitrile 724.54
    trioctyl phosphate 204.16
    1-bromopropane 1490.26
    gamma-valerolactone 1964.07
    n-decanol 237.15
    triethyl phosphate 254.56
    4-methyl-2-pentanol 514.55
    propionitrile 873.97
    vinylene carbonate 813.11
    1,1,2-trichlorotrifluoroethane 879.73
    DMS 490.65
    cumene 337.87
    2-octanol 351.88
    2-hexanone 876.86
    octyl acetate 394.95
    limonene 591.52
    1,2-dimethoxyethane 1053.22
    ethyl orthosilicate 277.09
    tributyl phosphate 266.3
    diacetone alcohol 756.78
    N,N-dimethylaniline 429.35
    acrylonitrile 730.63
    aniline 734.95
    1,3-propanediol 334.27
    bromobenzene 1304.13
    dibromomethane 1708.31
    1,1,2,2-tetrachloroethane 2020.3
    2-methyl-cyclohexyl acetate 556.26
    tetrabutyl urea 319.7
    diisobutyl methanol 370.04
    2-phenylethanol 639.2
    styrene 594.21
    dioctyl adipate 353.97
    dimethyl sulfate 403.28
    ethyl butyrate 690.03
    methyl lactate 266.36
    butyl lactate 412.32
    diethyl carbonate 381.71
    propanediol butyl ether 449.51
    triethyl orthoformate 442.76
    p-tert-butyltoluene 354.25
    methyl 4-tert-butylbenzoate 459.24
    morpholine 2045.77
    tert-butylamine 927.56
    n-dodecanol 174.16
    dimethoxymethane 979.68
    ethylene carbonate 692.16
    cyrene 376.74
    2-ethoxyethyl acetate 665.44
    2-ethylhexyl acetate 970.2
    1,2,4-trichlorobenzene 950.07
    4-methylpyridine 1656.84
    dibutyl ether 702.72
    2,6-dimethyl-4-heptanol 370.04
    DEF 1080.88
    dimethyl isosorbide 898.93
    tetrachloroethylene 1301.07
    eugenol 386.72
    triacetin 465.23
    span 80 436.88
    1,4-butanediol 149.43
    1,1-dichloroethane 1936.52
    2-methyl-1-pentanol 687.73
    methyl formate 476.01
    2-methyl-1-butanol 897.78
    n-decane 116.45
    butyronitrile 1153.13
    3,7-dimethyl-1-octanol 439.95
    1-chlorooctane 431.24
    1-chlorotetradecane 142.61
    n-nonane 132.93
    undecane 75.15
    tert-butylcyclohexane 254.8
    cyclooctane 294.99
    cyclopentanol 1122.86
    tetrahydropyran 3033.36
    tert-amyl methyl ether 1031.36
    2,5,8-trioxanonane 552.86
    1-hexene 1290.87
    2-isopropoxyethanol 418.15
    2,2,2-trifluoroethanol 166.28
    methyl butyrate 799.55

    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