Butan-2-one phenylhydrazone

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  • Identifiers

    CAS number
    1129-62-0

    Molecular formula
    C10H14N2

    SMILES
    CCC(=NNC1=CC=CC=C1)C

  • Odor profile

    Fragrance
    Green 36.52%
    Roasted 34.45%
    Floral 27.54%
    Fishy 25.58%
    Sweet 25.3%
    Meaty 25.18%
    Nutty 24.71%
    Burnt 23.54%
    Earthy 23.25%
    Vegetable 22.98%

     

    Flavor
    Green 49.92%
    Herbal 28.97%
    Roasted 25.88%
    Earthy 25.86%
    Floral 23.79%
    Meaty 23.07%
    Oily 22.28%
    Metallic 21.59%
    Spicy 21.15%
    Gooseberry 20.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.35 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 111.76 ˚C est.

  • Synonyms

    • BUTAN-2-ONE PHENYLHYDRAZONE
    • N-(butan-2-ylideneamino)aniline
    • 1129-62-0
    • SCHEMBL11872753
    • DTXSID30859583
    • BPAJPMUNAALLEK-UHFFFAOYSA-N
    • methyl ethyl ketone phenylhydrazone
    • 1-(Butan-2-ylidene)-2-phenylhydrazine
    • DB-243176

  • Applications

    Butan-2-one phenylhydrazone (CAS 1129-62-0) is primarily used as an organic synthesis intermediate, serving as a building block for hydrazone and heterocyclic compounds in pharmaceutical and agrochemical development. In analytical chemistry, it can function as a derivatization reagent for carbonyl compounds, forming stable phenylhydrazones to enable qualitative or quantitative detection by HPLC or GC methods. It is also employed as a synthetic building block for dyes and pigment precursors and may be explored in materials research for functional hydrazone-containing polymers. Additionally, it can act as a precursor in the preparation of various heterocyclic frameworks, supporting research and process development in chemical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.13
    methanol 73.31
    isopropanol 51.05
    water 0.13
    ethyl acetate 206.08
    n-propanol 64.72
    acetone 208.88
    n-butanol 76.95
    acetonitrile 147.39
    DMF 221.42
    toluene 145.03
    isobutanol 51.72
    1,4-dioxane 347.57
    methyl acetate 180.95
    THF 402.15
    2-butanone 215.3
    n-pentanol 80.52
    sec-butanol 61.9
    n-hexane 39.69
    ethylene glycol 14.49
    NMP 161.35
    cyclohexane 45.02
    DMSO 264.71
    n-butyl acetate 285.55
    n-octanol 73.46
    chloroform 922.17
    n-propyl acetate 169.65
    acetic acid 148.45
    dichloromethane 722.91
    cyclohexanone 274.02
    propylene glycol 26.75
    isopropyl acetate 135.0
    DMAc 280.09
    2-ethoxyethanol 114.34
    isopentanol 85.37
    n-heptane 28.44
    ethyl formate 116.15
    1,2-dichloroethane 397.29
    n-hexanol 118.51
    2-methoxyethanol 116.94
    isobutyl acetate 127.82
    tetrachloromethane 79.79
    n-pentyl acetate 115.88
    transcutol 929.92
    n-heptanol 59.61
    ethylbenzene 111.0
    MIBK 112.54
    2-propoxyethanol 168.02
    tert-butanol 85.75
    MTBE 131.02
    2-butoxyethanol 113.09
    propionic acid 86.12
    o-xylene 91.99
    formic acid 29.6
    diethyl ether 153.94
    m-xylene 92.58
    p-xylene 157.63
    chlorobenzene 251.31
    dimethyl carbonate 80.84
    n-octane 13.2
    formamide 48.76
    cyclopentanone 277.81
    2-pentanone 148.22
    anisole 210.0
    cyclopentyl methyl ether 147.36
    gamma-butyrolactone 281.92
    1-methoxy-2-propanol 107.82
    pyridine 386.05
    3-pentanone 145.77
    furfural 352.96
    n-dodecane 13.46
    diethylene glycol 98.05
    diisopropyl ether 50.3
    tert-amyl alcohol 87.19
    acetylacetone 229.36
    n-hexadecane 15.45
    acetophenone 195.06
    methyl propionate 128.61
    isopentyl acetate 245.32
    trichloroethylene 834.03
    n-nonanol 73.23
    cyclohexanol 75.44
    benzyl alcohol 128.16
    2-ethylhexanol 108.33
    isooctanol 55.93
    dipropyl ether 146.23
    1,2-dichlorobenzene 239.98
    ethyl lactate 73.67
    propylene carbonate 224.32
    n-methylformamide 68.47
    2-pentanol 54.58
    n-pentane 17.91
    1-propoxy-2-propanol 154.12
    1-methoxy-2-propyl acetate 196.67
    2-(2-methoxypropoxy) propanol 183.99
    mesitylene 63.36
    ε-caprolactone 225.14
    p-cymene 73.9
    epichlorohydrin 388.29
    1,1,1-trichloroethane 342.57
    2-aminoethanol 32.6
    morpholine-4-carbaldehyde 247.54
    sulfolane 308.51
    2,2,4-trimethylpentane 16.31
    2-methyltetrahydrofuran 230.76
    n-hexyl acetate 179.35
    isooctane 11.29
    2-(2-butoxyethoxy)ethanol 232.28
    sec-butyl acetate 120.14
    tert-butyl acetate 140.08
    decalin 35.85
    glycerin 42.66
    diglyme 452.52
    acrylic acid 93.22
    isopropyl myristate 89.49
    n-butyric acid 143.49
    acetyl acetate 188.3
    di(2-ethylhexyl) phthalate 89.26
    ethyl propionate 143.0
    nitromethane 248.69
    1,2-diethoxyethane 313.84
    benzonitrile 220.5
    trioctyl phosphate 54.34
    1-bromopropane 201.83
    gamma-valerolactone 314.46
    n-decanol 59.55
    triethyl phosphate 95.11
    4-methyl-2-pentanol 49.7
    propionitrile 125.23
    vinylene carbonate 216.34
    1,1,2-trichlorotrifluoroethane 249.31
    DMS 164.29
    cumene 79.64
    2-octanol 44.22
    2-hexanone 178.72
    octyl acetate 104.83
    limonene 97.1
    1,2-dimethoxyethane 307.63
    ethyl orthosilicate 92.18
    tributyl phosphate 82.86
    diacetone alcohol 124.43
    N,N-dimethylaniline 139.0
    acrylonitrile 154.65
    aniline 130.26
    1,3-propanediol 50.68
    bromobenzene 304.28
    dibromomethane 471.56
    1,1,2,2-tetrachloroethane 676.9
    2-methyl-cyclohexyl acetate 151.57
    tetrabutyl urea 98.52
    diisobutyl methanol 70.08
    2-phenylethanol 139.57
    styrene 155.83
    dioctyl adipate 134.81
    dimethyl sulfate 121.13
    ethyl butyrate 192.28
    methyl lactate 63.93
    butyl lactate 94.15
    diethyl carbonate 147.09
    propanediol butyl ether 107.94
    triethyl orthoformate 140.93
    p-tert-butyltoluene 69.1
    methyl 4-tert-butylbenzoate 146.05
    morpholine 262.94
    tert-butylamine 63.87
    n-dodecanol 49.27
    dimethoxymethane 150.87
    ethylene carbonate 168.45
    cyrene 129.05
    2-ethoxyethyl acetate 178.12
    2-ethylhexyl acetate 200.98
    1,2,4-trichlorobenzene 275.21
    4-methylpyridine 314.71
    dibutyl ether 166.9
    2,6-dimethyl-4-heptanol 70.08
    DEF 168.79
    dimethyl isosorbide 270.87
    tetrachloroethylene 374.31
    eugenol 151.23
    triacetin 190.26
    span 80 157.62
    1,4-butanediol 29.37
    1,1-dichloroethane 336.66
    2-methyl-1-pentanol 100.68
    methyl formate 69.62
    2-methyl-1-butanol 75.31
    n-decane 20.48
    butyronitrile 137.82
    3,7-dimethyl-1-octanol 97.09
    1-chlorooctane 82.41
    1-chlorotetradecane 39.0
    n-nonane 19.28
    undecane 15.89
    tert-butylcyclohexane 30.6
    cyclooctane 16.68
    cyclopentanol 65.45
    tetrahydropyran 273.46
    tert-amyl methyl ether 104.26
    2,5,8-trioxanonane 315.92
    1-hexene 127.49
    2-isopropoxyethanol 94.0
    2,2,2-trifluoroethanol 49.31
    methyl butyrate 194.44

    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