Butanal, 2-methyl-, oxime, (Z)-

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  • Identifiers

    CAS number
    49805-56-3

    Molecular formula
    C5H11NO

    SMILES
    CCC(C)/C=N\O

  • Odor profile

    Green 82.99%
    Pungent 42.12%
    Vegetable 40.16%
    Fruity 34.37%
    Fresh 34.0%
    Radish 29.5%
    Cocoa 29.48%
    Leafy 28.57%
    Ethereal 26.29%
    Fermented 25.3%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    101.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    158°C

    Flash point est.
    55.02 ˚C

  • Synonyms

    • (NZ)-N-(2-methylbutylidene)hydroxylamine
    • 49805-56-3
    • (E)-2-methylbutanal oxime
    • Butanal, 2-methyl-, oxime, (Z)-
    • (Z)-2-methylbutyraldehyde oxime
    • 2-methylbutyraldehyde (Z)-oxime
    • (1Z)-N-hydroxy-2-methylbutan-1-imine
    • (1E)-2-Methylbutanal oxime
    • SCHEMBL9507174
    • (1Z)-2-Methylbutanal oxime #
    • CHEBI:61136
    • Butyl aldoxime, 2-methyl-, syn-
    • DTXSID001311022
    • Q27130839

  • Applications

    Butanal, 2-methyl-, oxime, (Z)- (the Z-oxime of 2-methylbutanal) is a versatile synthetic intermediate: it serves as an aldehyde protecting group, converts readily to primary amines (via reduction) or nitriles (via dehydration), and can be deprotected to regenerate the aldehyde; it also provides a stereodefined substrate for mechanistic studies, stereoselective transformations, and coordination to transition metals. These features make it useful as a building block in pharmaceutical, agrochemical, and fine-chemical synthesis, in fragrance optimization workflows, and in materials/catalysis research involving oxime complexes or downstream oxime-to-amide/oxime-ether transformations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.39
    methanol 115.01
    isopropanol 89.8
    water 2.7
    ethyl acetate 34.17
    n-propanol 76.85
    acetone 46.51
    n-butanol 60.14
    acetonitrile 33.22
    DMF 72.78
    toluene 9.63
    isobutanol 71.1
    1,4-dioxane 79.82
    methyl acetate 47.37
    THF 121.63
    2-butanone 49.89
    n-pentanol 46.95
    sec-butanol 70.92
    n-hexane 6.47
    ethylene glycol 56.32
    NMP 155.52
    cyclohexane 5.88
    DMSO 150.57
    n-butyl acetate 72.75
    n-octanol 43.44
    chloroform 135.3
    n-propyl acetate 31.96
    acetic acid 135.58
    dichloromethane 82.15
    cyclohexanone 113.02
    propylene glycol 77.99
    isopropyl acetate 26.32
    DMAc 61.58
    2-ethoxyethanol 62.33
    isopentanol 60.92
    n-heptane 6.16
    ethyl formate 36.56
    1,2-dichloroethane 51.91
    n-hexanol 119.42
    2-methoxyethanol 102.43
    isobutyl acetate 27.23
    tetrachloromethane 31.0
    n-pentyl acetate 40.89
    transcutol 267.19
    n-heptanol 53.65
    ethylbenzene 11.68
    MIBK 32.74
    2-propoxyethanol 146.41
    tert-butanol 114.72
    MTBE 38.4
    2-butoxyethanol 87.42
    propionic acid 116.3
    o-xylene 15.9
    formic acid 62.95
    diethyl ether 16.42
    m-xylene 15.43
    p-xylene 18.64
    chlorobenzene 36.25
    dimethyl carbonate 13.2
    n-octane 3.24
    formamide 44.45
    cyclopentanone 135.08
    2-pentanone 33.88
    anisole 28.09
    cyclopentyl methyl ether 50.4
    gamma-butyrolactone 173.28
    1-methoxy-2-propanol 91.35
    pyridine 51.29
    3-pentanone 24.81
    furfural 137.9
    n-dodecane 3.1
    diethylene glycol 125.23
    diisopropyl ether 10.67
    tert-amyl alcohol 90.72
    acetylacetone 51.61
    n-hexadecane 3.33
    acetophenone 37.58
    methyl propionate 32.47
    isopentyl acetate 72.46
    trichloroethylene 146.17
    n-nonanol 38.14
    cyclohexanol 68.41
    benzyl alcohol 38.96
    2-ethylhexanol 65.31
    isooctanol 47.68
    dipropyl ether 27.73
    1,2-dichlorobenzene 49.45
    ethyl lactate 35.96
    propylene carbonate 92.14
    n-methylformamide 56.45
    2-pentanol 42.45
    n-pentane 3.81
    1-propoxy-2-propanol 123.67
    1-methoxy-2-propyl acetate 71.2
    2-(2-methoxypropoxy) propanol 91.64
    mesitylene 14.14
    ε-caprolactone 101.43
    p-cymene 21.08
    epichlorohydrin 124.35
    1,1,1-trichloroethane 75.22
    2-aminoethanol 89.73
    morpholine-4-carbaldehyde 115.78
    sulfolane 268.0
    2,2,4-trimethylpentane 5.81
    2-methyltetrahydrofuran 94.64
    n-hexyl acetate 63.26
    isooctane 5.16
    2-(2-butoxyethoxy)ethanol 118.77
    sec-butyl acetate 24.29
    tert-butyl acetate 40.6
    decalin 6.34
    glycerin 111.04
    diglyme 149.57
    acrylic acid 104.74
    isopropyl myristate 27.3
    n-butyric acid 111.85
    acetyl acetate 28.55
    di(2-ethylhexyl) phthalate 39.67
    ethyl propionate 25.59
    nitromethane 109.96
    1,2-diethoxyethane 47.74
    benzonitrile 48.56
    trioctyl phosphate 32.12
    1-bromopropane 26.98
    gamma-valerolactone 165.17
    n-decanol 30.57
    triethyl phosphate 27.04
    4-methyl-2-pentanol 35.93
    propionitrile 36.96
    vinylene carbonate 76.93
    1,1,2-trichlorotrifluoroethane 150.18
    DMS 46.23
    cumene 15.27
    2-octanol 34.2
    2-hexanone 33.56
    octyl acetate 37.99
    limonene 30.19
    1,2-dimethoxyethane 63.85
    ethyl orthosilicate 26.07
    tributyl phosphate 34.92
    diacetone alcohol 82.53
    N,N-dimethylaniline 25.79
    acrylonitrile 52.04
    aniline 32.07
    1,3-propanediol 93.81
    bromobenzene 30.43
    dibromomethane 56.55
    1,1,2,2-tetrachloroethane 137.44
    2-methyl-cyclohexyl acetate 51.48
    tetrabutyl urea 41.88
    diisobutyl methanol 37.86
    2-phenylethanol 64.49
    styrene 11.64
    dioctyl adipate 41.56
    dimethyl sulfate 37.17
    ethyl butyrate 40.71
    methyl lactate 43.21
    butyl lactate 58.32
    diethyl carbonate 27.96
    propanediol butyl ether 97.32
    triethyl orthoformate 32.43
    p-tert-butyltoluene 21.61
    methyl 4-tert-butylbenzoate 61.4
    morpholine 91.18
    tert-butylamine 61.3
    n-dodecanol 23.99
    dimethoxymethane 30.25
    ethylene carbonate 56.99
    cyrene 76.38
    2-ethoxyethyl acetate 52.73
    2-ethylhexyl acetate 51.71
    1,2,4-trichlorobenzene 66.09
    4-methylpyridine 44.36
    dibutyl ether 24.05
    2,6-dimethyl-4-heptanol 37.86
    DEF 40.3
    dimethyl isosorbide 130.92
    tetrachloroethylene 94.84
    eugenol 69.01
    triacetin 57.28
    span 80 99.57
    1,4-butanediol 45.26
    1,1-dichloroethane 61.7
    2-methyl-1-pentanol 49.84
    methyl formate 42.77
    2-methyl-1-butanol 57.03
    n-decane 4.57
    butyronitrile 35.32
    3,7-dimethyl-1-octanol 48.28
    1-chlorooctane 21.44
    1-chlorotetradecane 9.67
    n-nonane 4.23
    undecane 3.68
    tert-butylcyclohexane 8.27
    cyclooctane 2.7
    cyclopentanol 100.68
    tetrahydropyran 60.93
    tert-amyl methyl ether 30.99
    2,5,8-trioxanonane 115.01
    1-hexene 17.27
    2-isopropoxyethanol 54.96
    2,2,2-trifluoroethanol 54.2
    methyl butyrate 39.76

    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
Gaura drummondii flower Gaura drummondii L., fam. Oenotheraceae 22.0%