Picolinafen

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  • Identifiers

    CAS number
    137641-05-5

    Molecular formula
    C19H12F4N2O2

    SMILES
    C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 43.53%
    Grape 38.8%
    Odorless 37.97%
    Floral 26.98%
    Savory 25.03%
    Cooked 24.85%
    Meaty 24.66%
    Animal 24.3%
    Fatty 24.11%
    Citrus 22.33%

     

    Flavor
    Bitter 71.33%
    Odorless 42.51%
    Mild 26.56%
    Bland 24.19%
    Nitrile 20.2%
    Sweet-like 19.95%
    Very strong 19.37%
    Indole 19.3%
    Scallion 19.27%
    Orange flower 19.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.71 (neutral)

    Molecular weight
    376.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Flash point

    • 195.25 ˚C est.

  • Synonyms

    • Picolinafen
    • 137641-05-5
    • Picolinafen [ISO]
    • UNII-VJE2EX3SNN
    • VJE2EX3SNN
    • N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
    • picolinafene
    • PICOLINAFEN [MI]
    • DTXSID8044339
    • CHEBI:138736
    • 4'-fluoro-6-(alpha,alpha,alpha-trifluoro-m-tolyloxy)pyridine-2-carboxanilide
    • 4'-FLUORO-6-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYLOXY)PYRIDINE-2-CARBOXANILIDE
    • N-(4-fluorophenyl)-6-(3-(trifluoromethyl)phenoxy)pyridine-2-carboxamide
    • RefChem:174160
    • DTXCID6024339
    • CWKFPEBMTGKLKX-UHFFFAOYSA-N
    • PGSPTHKIIXXDND-UHFFFAOYSA-N
    • N-(4-Fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxamide
    • N-(4-Fluorophenyl)-6-(3-(trifluoromethyl)phenoxy)picolinamide
    • N-(4-FLUOROPHENYL)-6-(3-(TRIFLUOROMETHYL)PHENOXY)-2-PYRIDINECARBOXAMIDE
    • Picolinafen 10 microg/mL in Cyclohexane
    • Picolinafen 10 microg/mL in Acetonitrile
    • SCHEMBL54805
    • SCHEMBL29497315
    • SCHEMBL29732862
    • MSK22351
    • AS-85646
    • NS00009710
    • H55513
    • Picolinafen, PESTANAL(R), analytical standard
    • Q2092340
    • 2-Pyridinecarboxamide, N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-
    • N-(4-Fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-pyridine-2-carboxamide
    • N-(4-Fluorophenyl)-6-(alpha,alpha,alpha-trifluoro-m-tolyloxy)picolinamide, N-(4-Fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxamide
    • 137641-05-5

  • Applications

    Picolinafen, CAS 137641-05-5, can be considered a synthetic intermediate in organic-chemical and industrial processes; it may be used as a solvent or processing aid in manufacturing cycles; it can function as a fragrance fixative or odorant component in perfumery and cosmetics; in the personal care and household cleaning sectors it may be evaluated for fragrance and formulation stability applications; it may act as a stabilizer or chelating agent in polymer and plastic systems; and it is considered for potential use in materials and formulation development in industrial materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.66
    methanol 7.22
    isopropanol 3.17
    water 0.01
    ethyl acetate 48.43
    n-propanol 5.79
    acetone 42.61
    n-butanol 6.82
    acetonitrile 17.47
    DMF 10.3
    toluene 27.59
    isobutanol 3.5
    1,4-dioxane 47.66
    methyl acetate 44.71
    THF 120.3
    2-butanone 63.48
    n-pentanol 5.79
    sec-butanol 8.0
    n-hexane 0.1
    ethylene glycol 0.44
    NMP 17.49
    cyclohexane 0.31
    DMSO 50.41
    n-butyl acetate 19.48
    n-octanol 4.59
    chloroform 17.15
    n-propyl acetate 21.28
    acetic acid 15.98
    dichloromethane 24.17
    cyclohexanone 51.13
    propylene glycol 0.77
    isopropyl acetate 25.06
    DMAc 62.56
    2-ethoxyethanol 25.2
    isopentanol 7.31
    n-heptane 0.25
    ethyl formate 17.1
    1,2-dichloroethane 15.9
    n-hexanol 5.63
    2-methoxyethanol 27.65
    isobutyl acetate 6.7
    tetrachloromethane 0.64
    n-pentyl acetate 14.13
    transcutol 83.61
    n-heptanol 4.98
    ethylbenzene 9.12
    MIBK 16.58
    2-propoxyethanol 25.55
    tert-butanol 5.45
    MTBE 16.45
    2-butoxyethanol 18.73
    propionic acid 7.2
    o-xylene 12.93
    formic acid 5.45
    diethyl ether 21.98
    m-xylene 8.24
    p-xylene 7.47
    chlorobenzene 5.65
    dimethyl carbonate 10.94
    n-octane 0.17
    formamide 13.93
    cyclopentanone 43.2
    2-pentanone 37.23
    anisole 25.21
    cyclopentyl methyl ether 19.69
    gamma-butyrolactone 43.84
    1-methoxy-2-propanol 15.91
    pyridine 52.09
    3-pentanone 28.18
    furfural 36.66
    n-dodecane 0.28
    diethylene glycol 11.34
    diisopropyl ether 3.79
    tert-amyl alcohol 10.74
    acetylacetone 50.1
    n-hexadecane 0.33
    acetophenone 23.99
    methyl propionate 25.89
    isopentyl acetate 15.6
    trichloroethylene 32.11
    n-nonanol 5.48
    cyclohexanol 7.68
    benzyl alcohol 12.81
    2-ethylhexanol 5.1
    isooctanol 4.46
    dipropyl ether 9.57
    1,2-dichlorobenzene 4.75
    ethyl lactate 8.07
    propylene carbonate 15.73
    n-methylformamide 9.17
    2-pentanol 5.16
    n-pentane 0.19
    1-propoxy-2-propanol 15.8
    1-methoxy-2-propyl acetate 29.14
    2-(2-methoxypropoxy) propanol 28.63
    mesitylene 2.93
    ε-caprolactone 46.02
    p-cymene 4.39
    epichlorohydrin 75.18
    1,1,1-trichloroethane 7.92
    2-aminoethanol 1.63
    morpholine-4-carbaldehyde 33.97
    sulfolane 31.99
    2,2,4-trimethylpentane 0.32
    2-methyltetrahydrofuran 53.81
    n-hexyl acetate 16.81
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 37.75
    sec-butyl acetate 16.23
    tert-butyl acetate 22.31
    decalin 0.29
    glycerin 2.06
    diglyme 75.39
    acrylic acid 6.03
    isopropyl myristate 8.29
    n-butyric acid 13.47
    acetyl acetate 26.39
    di(2-ethylhexyl) phthalate 8.54
    ethyl propionate 23.03
    nitromethane 59.47
    1,2-diethoxyethane 38.35
    benzonitrile 14.25
    trioctyl phosphate 4.71
    1-bromopropane 10.16
    gamma-valerolactone 73.47
    n-decanol 4.38
    triethyl phosphate 8.88
    4-methyl-2-pentanol 3.78
    propionitrile 12.48
    vinylene carbonate 14.7
    1,1,2-trichlorotrifluoroethane 21.52
    DMS 15.9
    cumene 3.93
    2-octanol 3.78
    2-hexanone 25.0
    octyl acetate 11.2
    limonene 5.31
    1,2-dimethoxyethane 67.98
    ethyl orthosilicate 8.68
    tributyl phosphate 6.38
    diacetone alcohol 20.89
    N,N-dimethylaniline 11.51
    acrylonitrile 14.75
    aniline 14.37
    1,3-propanediol 5.03
    bromobenzene 5.52
    dibromomethane 12.65
    1,1,2,2-tetrachloroethane 20.09
    2-methyl-cyclohexyl acetate 12.45
    tetrabutyl urea 11.36
    diisobutyl methanol 3.57
    2-phenylethanol 14.74
    styrene 9.4
    dioctyl adipate 14.27
    dimethyl sulfate 13.18
    ethyl butyrate 19.66
    methyl lactate 8.83
    butyl lactate 8.82
    diethyl carbonate 12.96
    propanediol butyl ether 8.48
    triethyl orthoformate 13.73
    p-tert-butyltoluene 3.62
    methyl 4-tert-butylbenzoate 18.78
    morpholine 43.58
    tert-butylamine 2.43
    n-dodecanol 3.37
    dimethoxymethane 28.06
    ethylene carbonate 12.2
    cyrene 16.33
    2-ethoxyethyl acetate 30.94
    2-ethylhexyl acetate 11.81
    1,2,4-trichlorobenzene 7.96
    4-methylpyridine 39.31
    dibutyl ether 10.68
    2,6-dimethyl-4-heptanol 3.57
    DEF 28.12
    dimethyl isosorbide 42.51
    tetrachloroethylene 10.87
    eugenol 18.81
    triacetin 20.17
    span 80 13.88
    1,4-butanediol 1.63
    1,1-dichloroethane 10.19
    2-methyl-1-pentanol 8.11
    methyl formate 10.42
    2-methyl-1-butanol 8.29
    n-decane 0.4
    butyronitrile 12.42
    3,7-dimethyl-1-octanol 5.54
    1-chlorooctane 2.53
    1-chlorotetradecane 1.27
    n-nonane 0.29
    undecane 0.33
    tert-butylcyclohexane 0.23
    cyclooctane 0.12
    cyclopentanol 5.17
    tetrahydropyran 38.83
    tert-amyl methyl ether 19.33
    2,5,8-trioxanonane 59.82
    1-hexene 1.6
    2-isopropoxyethanol 15.07
    2,2,2-trifluoroethanol 4.04
    methyl butyrate 24.53

    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