2,3,4,5,6-Pentafluoro-N-(2-methylcyclohexyl)benzamide

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  • Identifiers

    CAS number
    1003050-32-5

    Molecular formula
    C14H14F5NO

    SMILES
    CC1CCCCC1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 56.6%
    Cooling 30.28%
    Savory 23.55%
    Animal 21.81%
    Burnt 19.29%
    Bitter 17.25%
    Meaty 17.13%
    Ripe 16.4%
    Fishy 15.35%
    Milky 15.32%

     

    Flavor
    Bitter 70.7%
    Odorless 38.6%
    Bland 23.45%
    Mild 22.01%
    Sweet-like 20.99%
    Nitrile 20.53%
    Very strong 19.53%
    Indole 19.42%
    Cedarleaf 19.41%
    Orange flower 19.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.24 (weak acid)

    Molecular weight
    307.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    388°C

    Flash point

    • 103.75 ˚C est.

    Solubility expt.

    • Slightly soluble in water; Soluble in most organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • Pfmc benzamide
    • MXO6EXQ1T8
    • Fema No. 4678
    • UNII-MXO6EXQ1T8
    • 2,3,4,5,6-Pentafluoro-N-(2-methylcyclohexyl)benzamide
    • N-(2-methylcyclohexyl)-2,3,4,5,6-pentafluorobenzamide
    • 1003050-32-5
    • DTXSID501019750
    • SCHEMBL4159220
    • FJHJJVNLPPPLHC-UHFFFAOYSA-N
    • DTXCID801477650
    • N-(2-methylcyclohexyl)-2,3,4,5,6-pentafluoro-benzamide

  • Applications

    Chemical name: 2,3,4,5,6-Pentafluoro-N-(2-methylcyclohexyl)benzamide, CAS 1003050-32-5. In industrial practice, the compound is typically used as a fluorinated aromatic amide building block and intermediate for the synthesis of specialty chemicals; it may be employed in pharmaceutical and agrochemical research as a precursor to more complex compounds; it can serve as a starting material in polymer/plastics development to access fluorinated amide derivatives; it is being explored for coatings/inks formulations and for electronic/materials applications due to its fluorinated aryl structure.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 831.43
    methanol 850.59
    isopropanol 496.32
    water 0.66
    ethyl acetate 1301.92
    n-propanol 641.81
    acetone 1734.92
    n-butanol 492.78
    acetonitrile 1235.54
    DMF 3257.96
    toluene 528.66
    isobutanol 434.33
    1,4-dioxane 839.56
    methyl acetate 1404.83
    THF 3363.28
    2-butanone 1612.97
    n-pentanol 246.67
    sec-butanol 524.13
    n-hexane 14.55
    ethylene glycol 276.96
    NMP 3376.85
    cyclohexane 31.95
    DMSO 4839.54
    n-butyl acetate 436.65
    n-octanol 45.56
    chloroform 1914.93
    n-propyl acetate 466.39
    acetic acid 1413.01
    dichloromethane 2468.02
    cyclohexanone 1073.23
    propylene glycol 434.46
    isopropyl acetate 663.75
    DMAc 2893.49
    2-ethoxyethanol 813.79
    isopentanol 423.61
    n-heptane 11.15
    ethyl formate 600.87
    1,2-dichloroethane 1853.48
    n-hexanol 224.57
    2-methoxyethanol 2017.72
    isobutyl acetate 206.99
    tetrachloromethane 203.74
    n-pentyl acetate 204.34
    transcutol 1739.96
    n-heptanol 73.04
    ethylbenzene 152.44
    MIBK 540.31
    2-propoxyethanol 761.2
    tert-butanol 561.72
    MTBE 538.63
    2-butoxyethanol 313.6
    propionic acid 771.28
    o-xylene 255.27
    formic acid 822.21
    diethyl ether 595.57
    m-xylene 276.07
    p-xylene 154.22
    chlorobenzene 498.95
    dimethyl carbonate 841.68
    n-octane 3.19
    formamide 2149.23
    cyclopentanone 2149.42
    2-pentanone 1110.96
    anisole 544.82
    cyclopentyl methyl ether 1096.39
    gamma-butyrolactone 2547.2
    1-methoxy-2-propanol 1394.75
    pyridine 1727.88
    3-pentanone 813.37
    furfural 2181.51
    n-dodecane 2.28
    diethylene glycol 711.78
    diisopropyl ether 134.93
    tert-amyl alcohol 581.93
    acetylacetone 1555.43
    n-hexadecane 2.7
    acetophenone 577.82
    methyl propionate 1385.74
    isopentyl acetate 390.22
    trichloroethylene 3991.6
    n-nonanol 47.08
    cyclohexanol 389.75
    benzyl alcohol 450.99
    2-ethylhexanol 122.74
    isooctanol 63.68
    dipropyl ether 172.39
    1,2-dichlorobenzene 456.92
    ethyl lactate 328.83
    propylene carbonate 1045.29
    n-methylformamide 1920.61
    2-pentanol 346.94
    n-pentane 26.88
    1-propoxy-2-propanol 453.97
    1-methoxy-2-propyl acetate 840.79
    2-(2-methoxypropoxy) propanol 467.25
    mesitylene 112.21
    ε-caprolactone 1077.14
    p-cymene 89.72
    epichlorohydrin 4507.04
    1,1,1-trichloroethane 1372.62
    2-aminoethanol 584.62
    morpholine-4-carbaldehyde 2014.47
    sulfolane 3442.15
    2,2,4-trimethylpentane 18.45
    2-methyltetrahydrofuran 1824.31
    n-hexyl acetate 249.57
    isooctane 10.44
    2-(2-butoxyethoxy)ethanol 524.83
    sec-butyl acetate 325.55
    tert-butyl acetate 714.85
    decalin 16.3
    glycerin 603.42
    diglyme 1086.72
    acrylic acid 839.74
    isopropyl myristate 85.13
    n-butyric acid 888.51
    acetyl acetate 821.14
    di(2-ethylhexyl) phthalate 113.54
    ethyl propionate 525.94
    nitromethane 3599.39
    1,2-diethoxyethane 389.39
    benzonitrile 457.44
    trioctyl phosphate 67.79
    1-bromopropane 759.15
    gamma-valerolactone 2338.72
    n-decanol 35.12
    triethyl phosphate 152.56
    4-methyl-2-pentanol 183.28
    propionitrile 726.93
    vinylene carbonate 816.77
    1,1,2-trichlorotrifluoroethane 2460.69
    DMS 546.49
    cumene 82.62
    2-octanol 39.74
    2-hexanone 415.93
    octyl acetate 127.6
    limonene 139.08
    1,2-dimethoxyethane 950.18
    ethyl orthosilicate 134.11
    tributyl phosphate 103.18
    diacetone alcohol 1052.84
    N,N-dimethylaniline 286.19
    acrylonitrile 1221.58
    aniline 820.46
    1,3-propanediol 696.41
    bromobenzene 505.01
    dibromomethane 1328.57
    1,1,2,2-tetrachloroethane 2640.85
    2-methyl-cyclohexyl acetate 248.51
    tetrabutyl urea 134.2
    diisobutyl methanol 68.99
    2-phenylethanol 404.85
    styrene 221.23
    dioctyl adipate 170.81
    dimethyl sulfate 1573.65
    ethyl butyrate 306.39
    methyl lactate 938.77
    butyl lactate 221.75
    diethyl carbonate 210.93
    propanediol butyl ether 271.72
    triethyl orthoformate 186.41
    p-tert-butyltoluene 81.51
    methyl 4-tert-butylbenzoate 358.59
    morpholine 1572.76
    tert-butylamine 268.4
    n-dodecanol 26.56
    dimethoxymethane 1903.02
    ethylene carbonate 565.06
    cyrene 583.59
    2-ethoxyethyl acetate 496.32
    2-ethylhexyl acetate 272.56
    1,2,4-trichlorobenzene 738.92
    4-methylpyridine 1428.0
    dibutyl ether 69.28
    2,6-dimethyl-4-heptanol 68.99
    DEF 1355.13
    dimethyl isosorbide 1000.86
    tetrachloroethylene 1307.08
    eugenol 352.35
    triacetin 391.38
    span 80 250.69
    1,4-butanediol 194.22
    1,1-dichloroethane 1380.82
    2-methyl-1-pentanol 267.2
    methyl formate 1225.14
    2-methyl-1-butanol 489.64
    n-decane 3.49
    butyronitrile 545.76
    3,7-dimethyl-1-octanol 84.92
    1-chlorooctane 29.35
    1-chlorotetradecane 11.94
    n-nonane 3.22
    undecane 2.77
    tert-butylcyclohexane 12.55
    cyclooctane 11.45
    cyclopentanol 645.59
    tetrahydropyran 815.48
    tert-amyl methyl ether 539.12
    2,5,8-trioxanonane 752.44
    1-hexene 93.67
    2-isopropoxyethanol 457.79
    2,2,2-trifluoroethanol 562.05
    methyl butyrate 612.65

    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