Flurtamone

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  • Identifiers

    CAS number
    96525-23-4

    Molecular formula
    C18H14F3NO2

    SMILES
    CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 37.13%
    Fruity 32.3%
    Grape 30.19%
    Sweet 27.73%
    Floral 25.25%
    Savory 24.19%
    Citrus 23.83%
    Fatty 22.09%
    Grapefruit 21.7%
    Bitter 21.23%

     

    Flavor
    Bitter 77.48%
    Odorless 31.18%
    Bland 21.39%
    Cedarleaf 19.66%
    Nitrile 19.64%
    Sweet-like 19.55%
    Orange flower 18.86%
    Mild 18.82%
    Heather 18.79%
    Broom 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.52 (neutral)

    Molecular weight
    333.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    401°C

    Flash point

    • 183.93 ˚C est.

  • Synonyms

    • Flurtamone
    • 96525-23-4
    • Fluortanone
    • BACCARA
    • U2379SGQ8L
    • 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
    • FLURTAMONE [MI]
    • FLURTAMONE [ISO]
    • RE-40885
    • DTXSID5058228
    • 3(2H)-Furanone, 5-(methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-, (+-)-
    • 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-3(2h)-furanone
    • 5-(methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)furan-3-one
    • 5-(methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2H)-furanone
    • rac-5-(methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)furan-3(2H)-one
    • rac-5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
    • RefChem:599477
    • FLURTAMONE, (+-)-
    • DTXCID8031996
    • CHEBI:138737
    • Flurtamone, 5-methylamino-2-phenyl-4 (a,a,a,-trifluoro-m-tolyl) furan-3(2H)-one
    • DNDI1246784
    • RE40885
    • (2RS)-5-methylamino-2-phenyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)furan-3(2H)-one
    • 619-224-0
    • Benchmark
    • 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
    • 3(2H)-Furanone, 5-(methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-
    • 3(2H)-Furanone, 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-
    • Flurtamone [ISO:ANSI:BSI]
    • UNII-U2379SGQ8L
    • RE 40885
    • (+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2H)-furanone
    • SCHEMBL54435
    • orb1705965
    • CHEMBL1863061
    • SCHEMBL29352097
    • FLURTAMONE, (+/-)-
    • CHEBI:138738
    • MSK22189
    • MFCD01725809
    • AKOS015902461
    • DS-001452
    • HY-116653
    • CS-0066163
    • NS00009620
    • Flurtamone, PESTANAL(R), analytical standard
    • Q27290582
    • 2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
    • 2-Phenyl-3-oxo-4-(3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
    • 3(2H)-FURANONE, 5-(METHYLAMINO)-2-PHENYL-4-(3-(TRIFLUOROMETHYL)PHENYL)-, (+/-)-
    • 96525-23-4

  • Applications

    Flurtamone (CAS 96525-23-4) is typically used as an intermediate in organic synthesis and as a solvent or processing aid in industrial manufacturing. It can serve as a precursor for other chemical products and may function as an additive in polymers and plastics to assist processing or modify properties. In coatings and inks it is evaluated as a solvent or formulation component, and in fragrance or cosmetic contexts it may be considered as a ketone-based odorant or scent ingredient within formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.89
    methanol 30.6
    isopropanol 15.1
    water 0.01
    ethyl acetate 48.36
    n-propanol 19.03
    acetone 79.61
    n-butanol 23.17
    acetonitrile 34.49
    DMF 100.5
    toluene 40.0
    isobutanol 13.42
    1,4-dioxane 53.68
    methyl acetate 48.28
    THF 117.34
    2-butanone 74.51
    n-pentanol 19.43
    sec-butanol 21.02
    n-hexane 0.56
    ethylene glycol 3.82
    NMP 85.46
    cyclohexane 1.29
    DMSO 128.01
    n-butyl acetate 31.02
    n-octanol 14.53
    chloroform 65.14
    n-propyl acetate 30.2
    acetic acid 33.34
    dichloromethane 63.13
    cyclohexanone 99.31
    propylene glycol 5.25
    isopropyl acetate 34.24
    DMAc 132.05
    2-ethoxyethanol 41.74
    isopentanol 23.37
    n-heptane 0.84
    ethyl formate 29.66
    1,2-dichloroethane 49.51
    n-hexanol 21.85
    2-methoxyethanol 65.95
    isobutyl acetate 14.78
    tetrachloromethane 5.29
    n-pentyl acetate 30.89
    transcutol 79.06
    n-heptanol 18.21
    ethylbenzene 14.62
    MIBK 37.95
    2-propoxyethanol 55.93
    tert-butanol 21.7
    MTBE 22.34
    2-butoxyethanol 40.19
    propionic acid 19.6
    o-xylene 22.9
    formic acid 17.4
    diethyl ether 32.29
    m-xylene 20.17
    p-xylene 14.28
    chlorobenzene 26.16
    dimethyl carbonate 30.65
    n-octane 0.78
    formamide 37.65
    cyclopentanone 93.66
    2-pentanone 64.53
    anisole 29.97
    cyclopentyl methyl ether 32.16
    gamma-butyrolactone 73.47
    1-methoxy-2-propanol 47.43
    pyridine 70.04
    3-pentanone 51.55
    furfural 77.3
    n-dodecane 1.16
    diethylene glycol 37.21
    diisopropyl ether 8.31
    tert-amyl alcohol 26.66
    acetylacetone 76.37
    n-hexadecane 1.34
    acetophenone 39.04
    methyl propionate 44.28
    isopentyl acetate 26.56
    trichloroethylene 92.87
    n-nonanol 16.04
    cyclohexanol 23.68
    benzyl alcohol 32.78
    2-ethylhexanol 14.1
    isooctanol 14.51
    dipropyl ether 14.36
    1,2-dichlorobenzene 23.93
    ethyl lactate 20.87
    propylene carbonate 38.61
    n-methylformamide 42.36
    2-pentanol 16.04
    n-pentane 0.92
    1-propoxy-2-propanol 32.86
    1-methoxy-2-propyl acetate 42.67
    2-(2-methoxypropoxy) propanol 41.58
    mesitylene 10.37
    ε-caprolactone 64.73
    p-cymene 10.77
    epichlorohydrin 103.81
    1,1,1-trichloroethane 33.57
    2-aminoethanol 9.44
    morpholine-4-carbaldehyde 80.4
    sulfolane 90.08
    2,2,4-trimethylpentane 1.16
    2-methyltetrahydrofuran 52.48
    n-hexyl acetate 34.79
    isooctane 0.72
    2-(2-butoxyethoxy)ethanol 50.18
    sec-butyl acetate 22.24
    tert-butyl acetate 36.23
    decalin 1.23
    glycerin 12.83
    diglyme 84.56
    acrylic acid 20.27
    isopropyl myristate 17.44
    n-butyric acid 34.78
    acetyl acetate 35.5
    di(2-ethylhexyl) phthalate 19.56
    ethyl propionate 29.69
    nitromethane 85.27
    1,2-diethoxyethane 36.31
    benzonitrile 37.43
    trioctyl phosphate 14.92
    1-bromopropane 26.46
    gamma-valerolactone 118.57
    n-decanol 12.44
    triethyl phosphate 16.91
    4-methyl-2-pentanol 12.35
    propionitrile 31.85
    vinylene carbonate 38.57
    1,1,2-trichlorotrifluoroethane 60.94
    DMS 31.1
    cumene 9.07
    2-octanol 14.03
    2-hexanone 40.36
    octyl acetate 22.03
    limonene 13.3
    1,2-dimethoxyethane 80.87
    ethyl orthosilicate 16.02
    tributyl phosphate 15.88
    diacetone alcohol 48.72
    N,N-dimethylaniline 21.24
    acrylonitrile 42.52
    aniline 33.6
    1,3-propanediol 21.5
    bromobenzene 23.96
    dibromomethane 39.94
    1,1,2,2-tetrachloroethane 67.46
    2-methyl-cyclohexyl acetate 23.25
    tetrabutyl urea 26.42
    diisobutyl methanol 10.11
    2-phenylethanol 35.45
    styrene 16.57
    dioctyl adipate 23.59
    dimethyl sulfate 41.61
    ethyl butyrate 25.83
    methyl lactate 30.2
    butyl lactate 26.31
    diethyl carbonate 18.27
    propanediol butyl ether 28.19
    triethyl orthoformate 20.25
    p-tert-butyltoluene 9.6
    methyl 4-tert-butylbenzoate 39.59
    morpholine 61.77
    tert-butylamine 10.96
    n-dodecanol 9.61
    dimethoxymethane 75.69
    ethylene carbonate 31.25
    cyrene 42.3
    2-ethoxyethyl acetate 44.99
    2-ethylhexyl acetate 21.19
    1,2,4-trichlorobenzene 28.67
    4-methylpyridine 70.43
    dibutyl ether 15.88
    2,6-dimethyl-4-heptanol 10.11
    DEF 65.06
    dimethyl isosorbide 59.0
    tetrachloroethylene 41.99
    eugenol 42.16
    triacetin 35.09
    span 80 31.97
    1,4-butanediol 8.99
    1,1-dichloroethane 37.06
    2-methyl-1-pentanol 22.08
    methyl formate 34.32
    2-methyl-1-butanol 22.85
    n-decane 1.61
    butyronitrile 35.13
    3,7-dimethyl-1-octanol 13.93
    1-chlorooctane 8.47
    1-chlorotetradecane 4.7
    n-nonane 1.14
    undecane 1.35
    tert-butylcyclohexane 1.12
    cyclooctane 0.52
    cyclopentanol 20.52
    tetrahydropyran 44.81
    tert-amyl methyl ether 25.75
    2,5,8-trioxanonane 66.01
    1-hexene 5.21
    2-isopropoxyethanol 27.81
    2,2,2-trifluoroethanol 14.63
    methyl butyrate 36.93

    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