2-Cyclopenten-1-one, 2-(3,4-difluorophenyl)-3-propyl-, oxime

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  • Identifiers

    CAS number
    890304-51-5

    Molecular formula
    C14H15F2NO

    SMILES
    CCCC1=C(/C(=N\O)/CC1)C2=CC(=C(C=C2)F)F

    Safety labels

  • Odor profile

    Fragrance
    Odorless 29.13%
    Spicy 24.93%
    Animal 24.61%
    Fruity 23.43%
    Sweet 21.49%
    Fresh 21.32%
    Meaty 20.42%
    Savory 20.3%
    Burnt 20.07%
    Citrus 18.85%

     

    Flavor
    Bitter 63.27%
    Odorless 22.92%
    Nitrile 20.92%
    Cedarleaf 20.58%
    Very strong 20.39%
    Indole 20.11%
    Lovage 20.1%
    Basil 19.73%
    Taco 19.71%
    Mild 19.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.34 (weak base)

    Molecular weight
    251.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    361°C

    Flash point

    • 141.65 ˚C est.

  • Synonyms

    • Slim813
    • Difluorophenyl propylcyclopentene oxime
    • 2-Cyclopenten-1-one, 2-(3,4-difluorophenyl)-3-propyl-, oxime
    • 890304-51-5
    • MCG12384B7
    • UNII-MCG12384B7
    • Q27283863
    • 890304-51-5

  • Applications

    2-Cyclopenten-1-one, 2-(3,4-difluorophenyl)-3-propyl-, oxime is primarily used as an organic synthesis intermediate in pharmaceutical and agrochemical development. The fluorinated aryl moiety and the enone-oxime functionality enable access to a range of downstream intermediates and derivatives for synthetic sequences. In industrial manufacturing, it may serve as a building block for specialty chemicals used in coatings/inks and in polymer materials applications, and could be evaluated for electronic materials and other advanced material uses, depending on formulation needs and regulatory constraints. CAS 890304-51-5.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 266.14
    methanol 280.41
    isopropanol 181.63
    water 0.03
    ethyl acetate 794.6
    n-propanol 257.88
    acetone 1200.33
    n-butanol 221.53
    acetonitrile 693.08
    DMF 1929.45
    toluene 726.65
    isobutanol 176.27
    1,4-dioxane 599.73
    methyl acetate 758.72
    THF 1467.83
    2-butanone 953.91
    n-pentanol 138.51
    sec-butanol 199.8
    n-hexane 7.77
    ethylene glycol 60.6
    NMP 1317.47
    cyclohexane 13.73
    DMSO 2192.33
    n-butyl acetate 356.58
    n-octanol 49.4
    chloroform 2006.16
    n-propyl acetate 369.69
    acetic acid 350.96
    dichloromethane 2809.0
    cyclohexanone 949.39
    propylene glycol 85.93
    isopropyl acetate 424.24
    DMAc 1135.35
    2-ethoxyethanol 362.11
    isopentanol 218.46
    n-heptane 5.44
    ethyl formate 339.62
    1,2-dichloroethane 1808.58
    n-hexanol 134.14
    2-methoxyethanol 677.58
    isobutyl acetate 176.37
    tetrachloromethane 170.67
    n-pentyl acetate 234.41
    transcutol 1703.15
    n-heptanol 66.15
    ethylbenzene 180.16
    MIBK 411.73
    2-propoxyethanol 372.58
    tert-butanol 220.92
    MTBE 323.17
    2-butoxyethanol 217.7
    propionic acid 278.4
    o-xylene 267.57
    formic acid 158.36
    diethyl ether 384.62
    m-xylene 343.28
    p-xylene 176.82
    chlorobenzene 675.74
    dimethyl carbonate 453.02
    n-octane 2.52
    formamide 529.44
    cyclopentanone 1543.33
    2-pentanone 827.01
    anisole 481.2
    cyclopentyl methyl ether 647.81
    gamma-butyrolactone 1517.19
    1-methoxy-2-propanol 551.35
    pyridine 1288.3
    3-pentanone 628.85
    furfural 1208.46
    n-dodecane 2.23
    diethylene glycol 300.71
    diisopropyl ether 99.93
    tert-amyl alcohol 218.95
    acetylacetone 984.05
    n-hexadecane 2.81
    acetophenone 455.15
    methyl propionate 795.07
    isopentyl acetate 296.5
    trichloroethylene 3858.67
    n-nonanol 50.92
    cyclohexanol 242.49
    benzyl alcohol 383.26
    2-ethylhexanol 85.91
    isooctanol 61.13
    dipropyl ether 110.7
    1,2-dichlorobenzene 546.08
    ethyl lactate 180.96
    propylene carbonate 619.45
    n-methylformamide 843.86
    2-pentanol 166.25
    n-pentane 9.94
    1-propoxy-2-propanol 253.62
    1-methoxy-2-propyl acetate 461.76
    2-(2-methoxypropoxy) propanol 245.5
    mesitylene 139.14
    ε-caprolactone 765.55
    p-cymene 78.46
    epichlorohydrin 2472.02
    1,1,1-trichloroethane 1107.76
    2-aminoethanol 142.25
    morpholine-4-carbaldehyde 1122.74
    sulfolane 1684.15
    2,2,4-trimethylpentane 8.9
    2-methyltetrahydrofuran 850.47
    n-hexyl acetate 279.0
    isooctane 7.36
    2-(2-butoxyethoxy)ethanol 369.62
    sec-butyl acetate 242.37
    tert-butyl acetate 437.33
    decalin 12.96
    glycerin 149.85
    diglyme 755.21
    acrylic acid 344.35
    isopropyl myristate 89.3
    n-butyric acid 403.91
    acetyl acetate 425.88
    di(2-ethylhexyl) phthalate 95.81
    ethyl propionate 354.91
    nitromethane 1420.2
    1,2-diethoxyethane 388.93
    benzonitrile 527.69
    trioctyl phosphate 63.89
    1-bromopropane 559.36
    gamma-valerolactone 1543.57
    n-decanol 36.49
    triethyl phosphate 110.72
    4-methyl-2-pentanol 102.05
    propionitrile 445.68
    vinylene carbonate 596.48
    1,1,2-trichlorotrifluoroethane 1134.87
    DMS 416.64
    cumene 88.57
    2-octanol 48.75
    2-hexanone 328.51
    octyl acetate 121.79
    limonene 99.91
    1,2-dimethoxyethane 591.64
    ethyl orthosilicate 98.62
    tributyl phosphate 91.22
    diacetone alcohol 453.12
    N,N-dimethylaniline 225.81
    acrylonitrile 826.69
    aniline 665.29
    1,3-propanediol 221.95
    bromobenzene 796.94
    dibromomethane 1450.67
    1,1,2,2-tetrachloroethane 2088.36
    2-methyl-cyclohexyl acetate 171.33
    tetrabutyl urea 119.92
    diisobutyl methanol 55.87
    2-phenylethanol 269.13
    styrene 272.03
    dioctyl adipate 144.95
    dimethyl sulfate 750.25
    ethyl butyrate 232.26
    methyl lactate 335.08
    butyl lactate 193.82
    diethyl carbonate 164.52
    propanediol butyl ether 213.5
    triethyl orthoformate 135.58
    p-tert-butyltoluene 73.19
    methyl 4-tert-butylbenzoate 267.89
    morpholine 894.45
    tert-butylamine 118.09
    n-dodecanol 26.46
    dimethoxymethane 1053.75
    ethylene carbonate 438.94
    cyrene 274.07
    2-ethoxyethyl acetate 460.54
    2-ethylhexyl acetate 213.03
    1,2,4-trichlorobenzene 704.79
    4-methylpyridine 1289.37
    dibutyl ether 98.45
    2,6-dimethyl-4-heptanol 55.87
    DEF 913.47
    dimethyl isosorbide 474.05
    tetrachloroethylene 1166.89
    eugenol 269.15
    triacetin 315.32
    span 80 176.51
    1,4-butanediol 81.87
    1,1-dichloroethane 1341.64
    2-methyl-1-pentanol 148.35
    methyl formate 590.14
    2-methyl-1-butanol 218.08
    n-decane 3.66
    butyronitrile 351.01
    3,7-dimethyl-1-octanol 77.09
    1-chlorooctane 41.13
    1-chlorotetradecane 15.1
    n-nonane 3.03
    undecane 2.79
    tert-butylcyclohexane 10.88
    cyclooctane 5.38
    cyclopentanol 269.06
    tetrahydropyran 627.26
    tert-amyl methyl ether 268.15
    2,5,8-trioxanonane 442.28
    1-hexene 64.48
    2-isopropoxyethanol 236.77
    2,2,2-trifluoroethanol 192.82
    methyl butyrate 451.25

    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