3-Methylbutyraldehyde oxime

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    626-90-4

    Molecular formula
    C5H11NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 72.5%
    Pungent 44.24%
    Vegetable 34.28%
    Cocoa 31.35%
    Radish 29.5%
    Cheesy 29.4%
    Fresh 29.24%
    Fruity 26.8%
    Fermented 25.16%
    Malty 24.44%

     

    Flavor
    Green 56.22%
    Oily 26.52%
    Pungent 26.19%
    Vegetable 25.85%
    Fatty 25.29%
    Ethereal 24.25%
    Fruity 23.91%
    Sharp 23.85%
    Tomato 23.32%
    Cheese 22.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.92 (weak base)

    Molecular weight
    101.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    170°C

    Flash point

    • 47.1 ˚C est.

  • Synonyms

    • 3-Methylbutyraldehyde oxime
    • 626-90-4
    • Butanal, 3-methyl-, oxime, (E)-
    • (NE)-N-(3-methylbutylidene)hydroxylamine
    • EINECS 210-970-9
    • 5775-74-6
    • N-(3-methylbutylidene)hydroxylamine
    • NSC 75629
    • (E)-3-methylbutanal oxime
    • SCHEMBL7575725
    • Isovaleraldehyde, oxime, (E)-
    • (1E)-3-Methylbutanal oxime #
    • CHEBI:80990
    • Butyl aldoxime, 3-methyl-, anti
    • AKOS015841845
    • C17255
    • G40547
    • EN300-7194444
    • 210-970-9

  • Applications

    3-Methylbutyraldehyde oxime (CAS 626-90-4) is primarily used as an intermediate in organic synthesis for the preparation of oxime derivatives and other specialty chemicals. In fragrance and cosmetics, it can serve as an odorant precursor or fragrance ingredient. In polymer and materials science, it may act as a building block for oxime-containing monomers or participate in specialty polymer formulations. In research and development, it is used as a reagent to explore oxime chemistry and related transformations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.7
    methanol 38.42
    isopropanol 28.36
    water 1.78
    ethyl acetate 11.05
    n-propanol 27.29
    acetone 18.13
    n-butanol 20.88
    acetonitrile 8.13
    DMF 36.98
    toluene 3.84
    isobutanol 23.75
    1,4-dioxane 19.25
    methyl acetate 15.49
    THF 40.87
    2-butanone 17.81
    n-pentanol 14.19
    sec-butanol 24.91
    n-hexane 2.91
    ethylene glycol 26.68
    NMP 59.75
    cyclohexane 2.56
    DMSO 45.5
    n-butyl acetate 24.38
    n-octanol 22.01
    chloroform 45.13
    n-propyl acetate 9.32
    acetic acid 32.19
    dichloromethane 23.57
    cyclohexanone 34.3
    propylene glycol 43.08
    isopropyl acetate 9.59
    DMAc 35.74
    2-ethoxyethanol 21.33
    isopentanol 19.51
    n-heptane 4.07
    ethyl formate 11.91
    1,2-dichloroethane 15.68
    n-hexanol 43.57
    2-methoxyethanol 42.0
    isobutyl acetate 9.45
    tetrachloromethane 10.08
    n-pentyl acetate 15.43
    transcutol 87.09
    n-heptanol 23.32
    ethylbenzene 5.81
    MIBK 11.47
    2-propoxyethanol 57.26
    tert-butanol 39.47
    MTBE 12.9
    2-butoxyethanol 38.36
    propionic acid 37.4
    o-xylene 6.89
    formic acid 18.57
    diethyl ether 4.72
    m-xylene 6.44
    p-xylene 8.29
    chlorobenzene 11.11
    dimethyl carbonate 7.02
    n-octane 2.02
    formamide 12.98
    cyclopentanone 46.69
    2-pentanone 11.78
    anisole 11.97
    cyclopentyl methyl ether 16.41
    gamma-butyrolactone 51.46
    1-methoxy-2-propanol 42.04
    pyridine 16.34
    3-pentanone 10.14
    furfural 50.9
    n-dodecane 1.96
    diethylene glycol 51.83
    diisopropyl ether 3.65
    tert-amyl alcohol 34.18
    acetylacetone 19.21
    n-hexadecane 2.06
    acetophenone 16.72
    methyl propionate 13.39
    isopentyl acetate 26.92
    trichloroethylene 45.97
    n-nonanol 18.94
    cyclohexanol 24.19
    benzyl alcohol 16.7
    2-ethylhexanol 27.68
    isooctanol 19.91
    dipropyl ether 11.71
    1,2-dichlorobenzene 17.52
    ethyl lactate 18.89
    propylene carbonate 32.43
    n-methylformamide 20.79
    2-pentanol 15.37
    n-pentane 1.74
    1-propoxy-2-propanol 52.72
    1-methoxy-2-propyl acetate 31.07
    2-(2-methoxypropoxy) propanol 51.3
    mesitylene 6.09
    ε-caprolactone 33.78
    p-cymene 11.88
    epichlorohydrin 35.27
    1,1,1-trichloroethane 22.61
    2-aminoethanol 38.27
    morpholine-4-carbaldehyde 47.02
    sulfolane 89.69
    2,2,4-trimethylpentane 2.92
    2-methyltetrahydrofuran 26.48
    n-hexyl acetate 24.91
    isooctane 2.24
    2-(2-butoxyethoxy)ethanol 54.03
    sec-butyl acetate 8.42
    tert-butyl acetate 15.16
    decalin 3.29
    glycerin 58.07
    diglyme 61.3
    acrylic acid 34.85
    isopropyl myristate 12.63
    n-butyric acid 34.14
    acetyl acetate 10.31
    di(2-ethylhexyl) phthalate 20.97
    ethyl propionate 9.88
    nitromethane 27.61
    1,2-diethoxyethane 14.63
    benzonitrile 16.66
    trioctyl phosphate 16.17
    1-bromopropane 8.66
    gamma-valerolactone 54.81
    n-decanol 14.98
    triethyl phosphate 15.33
    4-methyl-2-pentanol 13.48
    propionitrile 12.08
    vinylene carbonate 27.8
    1,1,2-trichlorotrifluoroethane 62.19
    DMS 20.93
    cumene 7.71
    2-octanol 15.9
    2-hexanone 10.92
    octyl acetate 17.17
    limonene 15.15
    1,2-dimethoxyethane 21.4
    ethyl orthosilicate 14.37
    tributyl phosphate 16.6
    diacetone alcohol 34.93
    N,N-dimethylaniline 13.01
    acrylonitrile 17.05
    aniline 12.11
    1,3-propanediol 35.91
    bromobenzene 9.66
    dibromomethane 17.21
    1,1,2,2-tetrachloroethane 45.66
    2-methyl-cyclohexyl acetate 24.55
    tetrabutyl urea 22.5
    diisobutyl methanol 18.13
    2-phenylethanol 29.64
    styrene 5.29
    dioctyl adipate 20.53
    dimethyl sulfate 17.69
    ethyl butyrate 16.06
    methyl lactate 24.46
    butyl lactate 27.7
    diethyl carbonate 12.78
    propanediol butyl ether 52.41
    triethyl orthoformate 15.62
    p-tert-butyltoluene 12.31
    methyl 4-tert-butylbenzoate 32.81
    morpholine 24.83
    tert-butylamine 22.84
    n-dodecanol 12.32
    dimethoxymethane 14.67
    ethylene carbonate 19.5
    cyrene 39.07
    2-ethoxyethyl acetate 19.42
    2-ethylhexyl acetate 20.08
    1,2,4-trichlorobenzene 25.19
    4-methylpyridine 14.76
    dibutyl ether 9.36
    2,6-dimethyl-4-heptanol 18.13
    DEF 14.28
    dimethyl isosorbide 67.68
    tetrachloroethylene 31.42
    eugenol 39.41
    triacetin 27.37
    span 80 53.42
    1,4-butanediol 18.04
    1,1-dichloroethane 18.6
    2-methyl-1-pentanol 15.33
    methyl formate 16.26
    2-methyl-1-butanol 20.01
    n-decane 2.77
    butyronitrile 11.02
    3,7-dimethyl-1-octanol 23.17
    1-chlorooctane 10.03
    1-chlorotetradecane 5.17
    n-nonane 2.61
    undecane 2.29
    tert-butylcyclohexane 4.31
    cyclooctane 1.35
    cyclopentanol 36.75
    tetrahydropyran 14.98
    tert-amyl methyl ether 12.36
    2,5,8-trioxanonane 56.73
    1-hexene 6.37
    2-isopropoxyethanol 18.78
    2,2,2-trifluoroethanol 18.43
    methyl butyrate 13.31

    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

Botanical

Name CAS Botanical Proportion
Honeysuckle headspace Lonicera caprifoleum L., fam. Caprifoliaceae 0.1%