4-Methylbenzaldehyde oxime

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  • Identifiers

    CAS number
    3717-15-5

    Molecular formula
    C8H9NO

    SMILES
    CC1=CC=C(C=C1)/C=N/O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Green 47.48%
    Floral 41.57%
    Sweet 39.4%
    Almond 36.28%
    Bitter 32.89%
    Spicy 31.38%
    Cherry 29.32%
    Fruity 28.6%
    Hyacinth 28.58%
    Pungent 27.45%

     

    Flavor
    Sweet 40.87%
    Phenolic 40.08%
    Cherry 33.57%
    Almond 31.82%
    Cinnamon 31.29%
    Spicy 29.12%
    Bitter 28.24%
    Woody 27.24%
    Balsam 26.66%
    Mild 26.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.73 (neutral)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 102.6 ˚C est.

  • Synonyms

    • 4-Methylbenzaldehyde oxime
    • NSC-45454
    • 3717-15-5
    • RMF45F3N6C
    • RefChem:1071141
    • 3235-02-7
    • (E)-4-Methylbenzaldehyde oxime
    • N-[(4-methylphenyl)methylidene]hydroxylamine
    • 4-Methylbenzaldoxime
    • p-Tolualdehyde, oxime
    • Benzaldehyde, 4-methyl-, oxime
    • MFCD01235928
    • (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
    • p-Tolualdoxime
    • p-methylbenzaldehyde oxime
    • (alphaE)-N-Hydroxy-4-methylbenzenemethaneimine
    • 4-Methylbenzaldehyde oxime #
    • (hydroxyimino)(4-methylphenyl)methane
    • p-Tolualdehyde oxime
    • E-4-Methylbenzaldoxime
    • 4-methyl-benzaldehyde-oxime
    • 4-TOLUALDEHYDE OXIME
    • SCHEMBL762978
    • SCHEMBL2263518
    • 4-Methylbenzaldehyde (E)-oxime
    • SCHEMBL27971312
    • trans-4-Methylbenzaldehyde oxime
    • (1E)-4-methylbenzaldehyde oxime
    • SRNDYVBEUZSFEZ-RMKNXTFCSA-N
    • HMS1783C20
    • 4-Methylbenzaldehyde oxime, (E)-
    • NSC45454
    • AC8737
    • NSC 45454
    • AKOS001050878
    • NCGC00323076-01
    • SY133551
    • Benzaldehyde, 4-methyl-, oxime, [C(E)]-
    • CS-0179148
    • CS-0356298
    • ST51023891
    • EN300-07985
    • AB01318559-02
    • doi:10.14272/SRNDYVBEUZSFEZ-RMKNXTFCSA-N
    • Z49568558
    • 3235-02-7

  • Applications

    4-Methylbenzaldehyde oxime, CAS 3717-15-5, is primarily used as an intermediate in organic synthesis and the preparation of functionally rich compounds for the chemical industry, serving as a building block for the synthesis of pharmaceutical and agrochemical agents; it is also employed as a precursor in the dye and pigment sector, enabling production of related colorants and intermediates; in fragrance and flavor applications it may be used as a fragrance intermediate or odor precursor; in polymer and coating applications it can participate in the synthesis of specialty monomers and resin systems; and it is encountered in research and development as a substrate for reaction development and functionalization studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.06
    methanol 183.26
    isopropanol 157.91
    water 1.6
    ethyl acetate 221.48
    n-propanol 210.02
    acetone 497.4
    n-butanol 146.93
    acetonitrile 172.8
    DMF 636.59
    toluene 64.27
    isobutanol 141.06
    1,4-dioxane 205.06
    methyl acetate 288.55
    THF 490.52
    2-butanone 470.98
    n-pentanol 113.26
    sec-butanol 156.57
    n-hexane 11.65
    ethylene glycol 93.41
    NMP 682.34
    cyclohexane 6.24
    DMSO 1203.75
    n-butyl acetate 151.79
    n-octanol 43.55
    chloroform 283.98
    n-propyl acetate 148.62
    acetic acid 203.42
    dichloromethane 272.87
    cyclohexanone 317.92
    propylene glycol 126.01
    isopropyl acetate 117.1
    DMAc 500.15
    2-ethoxyethanol 229.55
    isopentanol 128.53
    n-heptane 6.65
    ethyl formate 134.52
    1,2-dichloroethane 311.59
    n-hexanol 121.56
    2-methoxyethanol 363.11
    isobutyl acetate 80.31
    tetrachloromethane 57.8
    n-pentyl acetate 65.22
    transcutol 888.01
    n-heptanol 47.97
    ethylbenzene 54.25
    MIBK 146.3
    2-propoxyethanol 259.57
    tert-butanol 199.16
    MTBE 141.64
    2-butoxyethanol 128.47
    propionic acid 243.7
    o-xylene 60.94
    formic acid 138.11
    diethyl ether 129.69
    m-xylene 66.69
    p-xylene 62.21
    chlorobenzene 115.7
    dimethyl carbonate 151.41
    n-octane 2.18
    formamide 315.35
    cyclopentanone 671.5
    2-pentanone 281.64
    anisole 173.2
    cyclopentyl methyl ether 228.73
    gamma-butyrolactone 691.73
    1-methoxy-2-propanol 285.78
    pyridine 238.64
    3-pentanone 239.79
    furfural 449.58
    n-dodecane 1.48
    diethylene glycol 215.75
    diisopropyl ether 41.2
    tert-amyl alcohol 167.57
    acetylacetone 288.44
    n-hexadecane 1.74
    acetophenone 170.33
    methyl propionate 283.23
    isopentyl acetate 131.41
    trichloroethylene 662.36
    n-nonanol 36.01
    cyclohexanol 97.76
    benzyl alcohol 120.86
    2-ethylhexanol 67.61
    isooctanol 40.11
    dipropyl ether 71.9
    1,2-dichlorobenzene 132.22
    ethyl lactate 92.36
    propylene carbonate 265.96
    n-methylformamide 391.4
    2-pentanol 103.18
    n-pentane 7.0
    1-propoxy-2-propanol 171.51
    1-methoxy-2-propyl acetate 194.61
    2-(2-methoxypropoxy) propanol 149.98
    mesitylene 40.44
    ε-caprolactone 268.41
    p-cymene 33.4
    epichlorohydrin 761.46
    1,1,1-trichloroethane 259.15
    2-aminoethanol 183.49
    morpholine-4-carbaldehyde 418.09
    sulfolane 993.24
    2,2,4-trimethylpentane 6.83
    2-methyltetrahydrofuran 373.29
    n-hexyl acetate 112.47
    isooctane 5.74
    2-(2-butoxyethoxy)ethanol 215.63
    sec-butyl acetate 90.62
    tert-butyl acetate 159.48
    decalin 8.61
    glycerin 172.96
    diglyme 372.39
    acrylic acid 234.84
    isopropyl myristate 35.28
    n-butyric acid 181.45
    acetyl acetate 108.85
    di(2-ethylhexyl) phthalate 43.87
    ethyl propionate 149.48
    nitromethane 590.51
    1,2-diethoxyethane 133.99
    benzonitrile 112.19
    trioctyl phosphate 31.99
    1-bromopropane 110.8
    gamma-valerolactone 579.31
    n-decanol 25.81
    triethyl phosphate 55.16
    4-methyl-2-pentanol 63.45
    propionitrile 155.71
    vinylene carbonate 194.02
    1,1,2-trichlorotrifluoroethane 473.3
    DMS 149.28
    cumene 40.44
    2-octanol 29.25
    2-hexanone 181.72
    octyl acetate 49.84
    limonene 45.91
    1,2-dimethoxyethane 288.79
    ethyl orthosilicate 49.94
    tributyl phosphate 42.32
    diacetone alcohol 248.0
    N,N-dimethylaniline 115.06
    acrylonitrile 219.03
    aniline 141.43
    1,3-propanediol 181.59
    bromobenzene 102.57
    dibromomethane 164.97
    1,1,2,2-tetrachloroethane 503.73
    2-methyl-cyclohexyl acetate 84.9
    tetrabutyl urea 56.8
    diisobutyl methanol 38.61
    2-phenylethanol 129.75
    styrene 62.1
    dioctyl adipate 64.69
    dimethyl sulfate 347.5
    ethyl butyrate 103.6
    methyl lactate 163.15
    butyl lactate 80.25
    diethyl carbonate 70.97
    propanediol butyl ether 155.21
    triethyl orthoformate 66.68
    p-tert-butyltoluene 33.31
    methyl 4-tert-butylbenzoate 114.82
    morpholine 310.07
    tert-butylamine 100.44
    n-dodecanol 18.44
    dimethoxymethane 281.19
    ethylene carbonate 145.67
    cyrene 163.07
    2-ethoxyethyl acetate 128.96
    2-ethylhexyl acetate 93.77
    1,2,4-trichlorobenzene 185.2
    4-methylpyridine 214.59
    dibutyl ether 44.47
    2,6-dimethyl-4-heptanol 38.61
    DEF 260.31
    dimethyl isosorbide 262.81
    tetrachloroethylene 295.89
    eugenol 123.48
    triacetin 122.72
    span 80 109.93
    1,4-butanediol 85.21
    1,1-dichloroethane 254.97
    2-methyl-1-pentanol 107.47
    methyl formate 272.38
    2-methyl-1-butanol 132.3
    n-decane 2.69
    butyronitrile 112.81
    3,7-dimethyl-1-octanol 53.34
    1-chlorooctane 23.32
    1-chlorotetradecane 7.3
    n-nonane 2.63
    undecane 1.95
    tert-butylcyclohexane 10.0
    cyclooctane 3.19
    cyclopentanol 162.31
    tetrahydropyran 177.76
    tert-amyl methyl ether 116.38
    2,5,8-trioxanonane 227.59
    1-hexene 51.18
    2-isopropoxyethanol 157.88
    2,2,2-trifluoroethanol 123.24
    methyl butyrate 186.27

    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