TrifluoroMethyl Dechloro

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  • Identifiers

    CAS number
    1005193-64-5

    Molecular formula
    C25H34F3NO5

    SMILES
    CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O

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  • Odor profile

    Fragrance
    Odorless 49.48%
    Savory 37.07%
    Cooling 33.36%
    Meaty 28.18%
    Mint 22.64%
    Milky 21.55%
    Sweet 21.38%
    Spicy 20.95%
    Cooked 18.11%
    Grapefruit 17.97%

     

    Flavor
    Bitter 56.73%
    Odorless 40.63%
    Mild 28.35%
    Bland 26.76%
    Sweet-like 22.07%
    Cedarleaf 20.32%
    Nitrile 20.08%
    Heather 19.1%
    Yeasty 18.93%
    Mouldy 18.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.0 (weak base)

    Molecular weight
    485.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1226°C

    Flash point

    • 217.4 ˚C est.

  • Synonyms

    • 1005193-64-5
    • TrifluoroMethyl Dechloro
    • N-Ethyl Fluprostenol Carboxamide
    • (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-N-ethyl-5-heptenamide
    • (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
    • TrifluoroMethylDechloro
    • C25H34F3NO5
    • MFCD28167703
    • Trifluoromethyl Dechloro Ethylcloprostenolamide
    • (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)-N-ethylhept-5-enamide
    • (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-N-ethyl-hept-5-enamide
    • 1005193-64-5

  • Applications

    TrifluoroMethyl Dechloro (CAS 1005193-64-5) is primarily used as a specialty reagent and synthetic intermediate in fluorinated organic chemistry; typical applications include serving as a precursor for fluorinated polymers and materials, acting as a solvent or processing aid in coatings, inks and electronics, and providing a building block for pharmaceutical and agrochemical research, with potential use as a formulation modifier or stabilizer in niche industrial products, all subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.26
    methanol 161.88
    isopropanol 16.5
    water 0.17
    ethyl acetate 10.88
    n-propanol 28.5
    acetone 60.11
    n-butanol 19.6
    acetonitrile 8.67
    DMF 60.25
    toluene 3.03
    isobutanol 11.11
    1,4-dioxane 47.28
    methyl acetate 14.53
    THF 133.87
    2-butanone 31.24
    n-pentanol 13.25
    sec-butanol 14.01
    n-hexane 0.22
    ethylene glycol 11.17
    NMP 64.79
    cyclohexane 0.4
    DMSO 201.31
    n-butyl acetate 4.53
    n-octanol 9.02
    chloroform 14.61
    n-propyl acetate 6.56
    acetic acid 75.37
    dichloromethane 17.65
    cyclohexanone 40.12
    propylene glycol 17.95
    isopropyl acetate 7.1
    DMAc 114.54
    2-ethoxyethanol 64.64
    isopentanol 11.76
    n-heptane 0.3
    ethyl formate 13.02
    1,2-dichloroethane 10.31
    n-hexanol 7.05
    2-methoxyethanol 123.54
    isobutyl acetate 2.99
    tetrachloromethane 1.57
    n-pentyl acetate 10.1
    transcutol 120.27
    n-heptanol 8.7
    ethylbenzene 1.78
    MIBK 9.2
    2-propoxyethanol 41.45
    tert-butanol 12.52
    MTBE 7.82
    2-butoxyethanol 32.34
    propionic acid 18.89
    o-xylene 2.36
    formic acid 66.9
    diethyl ether 9.57
    m-xylene 1.92
    p-xylene 1.73
    chlorobenzene 2.01
    dimethyl carbonate 9.74
    n-octane 0.22
    formamide 77.15
    cyclopentanone 52.32
    2-pentanone 20.72
    anisole 8.14
    cyclopentyl methyl ether 12.75
    gamma-butyrolactone 46.91
    1-methoxy-2-propanol 63.76
    pyridine 21.88
    3-pentanone 12.69
    furfural 39.21
    n-dodecane 0.21
    diethylene glycol 36.31
    diisopropyl ether 1.49
    tert-amyl alcohol 12.37
    acetylacetone 31.54
    n-hexadecane 0.24
    acetophenone 10.83
    methyl propionate 12.91
    isopentyl acetate 4.41
    trichloroethylene 20.56
    n-nonanol 8.91
    cyclohexanol 10.18
    benzyl alcohol 11.84
    2-ethylhexanol 3.15
    isooctanol 5.87
    dipropyl ether 4.68
    1,2-dichlorobenzene 2.3
    ethyl lactate 9.66
    propylene carbonate 12.86
    n-methylformamide 41.96
    2-pentanol 6.85
    n-pentane 0.28
    1-propoxy-2-propanol 20.52
    1-methoxy-2-propyl acetate 11.79
    2-(2-methoxypropoxy) propanol 30.49
    mesitylene 1.07
    ε-caprolactone 31.53
    p-cymene 1.17
    epichlorohydrin 54.66
    1,1,1-trichloroethane 4.62
    2-aminoethanol 30.87
    morpholine-4-carbaldehyde 68.41
    sulfolane 77.58
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 28.55
    n-hexyl acetate 13.26
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 47.09
    sec-butyl acetate 4.04
    tert-butyl acetate 8.93
    decalin 0.23
    glycerin 34.44
    diglyme 72.83
    acrylic acid 20.87
    isopropyl myristate 4.35
    n-butyric acid 24.21
    acetyl acetate 8.41
    di(2-ethylhexyl) phthalate 7.53
    ethyl propionate 6.21
    nitromethane 84.6
    1,2-diethoxyethane 18.45
    benzonitrile 5.26
    trioctyl phosphate 4.96
    1-bromopropane 4.05
    gamma-valerolactone 101.62
    n-decanol 5.6
    triethyl phosphate 3.49
    4-methyl-2-pentanol 3.69
    propionitrile 6.31
    vinylene carbonate 12.47
    1,1,2-trichlorotrifluoroethane 53.48
    DMS 8.23
    cumene 1.16
    2-octanol 5.16
    2-hexanone 11.94
    octyl acetate 7.32
    limonene 1.71
    1,2-dimethoxyethane 66.75
    ethyl orthosilicate 3.7
    tributyl phosphate 4.69
    diacetone alcohol 25.97
    N,N-dimethylaniline 5.82
    acrylonitrile 9.82
    aniline 6.9
    1,3-propanediol 43.37
    bromobenzene 1.59
    dibromomethane 7.75
    1,1,2,2-tetrachloroethane 17.4
    2-methyl-cyclohexyl acetate 6.06
    tetrabutyl urea 9.57
    diisobutyl methanol 1.78
    2-phenylethanol 9.09
    styrene 1.76
    dioctyl adipate 9.0
    dimethyl sulfate 16.78
    ethyl butyrate 4.6
    methyl lactate 20.45
    butyl lactate 14.09
    diethyl carbonate 3.11
    propanediol butyl ether 34.18
    triethyl orthoformate 5.06
    p-tert-butyltoluene 1.06
    methyl 4-tert-butylbenzoate 16.91
    morpholine 64.46
    tert-butylamine 3.85
    n-dodecanol 3.44
    dimethoxymethane 63.55
    ethylene carbonate 10.51
    cyrene 33.3
    2-ethoxyethyl acetate 20.8
    2-ethylhexyl acetate 3.14
    1,2,4-trichlorobenzene 3.52
    4-methylpyridine 11.91
    dibutyl ether 5.52
    2,6-dimethyl-4-heptanol 1.78
    DEF 23.28
    dimethyl isosorbide 33.47
    tetrachloroethylene 11.89
    eugenol 20.73
    triacetin 18.14
    span 80 25.39
    1,4-butanediol 14.54
    1,1-dichloroethane 5.67
    2-methyl-1-pentanol 9.47
    methyl formate 29.38
    2-methyl-1-butanol 12.26
    n-decane 0.41
    butyronitrile 6.9
    3,7-dimethyl-1-octanol 5.47
    1-chlorooctane 2.19
    1-chlorotetradecane 0.76
    n-nonane 0.34
    undecane 0.28
    tert-butylcyclohexane 0.17
    cyclooctane 0.18
    cyclopentanol 15.54
    tetrahydropyran 24.25
    tert-amyl methyl ether 7.36
    2,5,8-trioxanonane 54.29
    1-hexene 1.2
    2-isopropoxyethanol 28.17
    2,2,2-trifluoroethanol 18.04
    methyl butyrate 9.66

    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