4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

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  • Identifiers

    CAS number
    17129-06-5

    Molecular formula
    C6H7F3O2

    SMILES
    CCOC=CC(=O)C(F)(F)F

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 37.48%
    Odorless 36.14%
    Fruity 23.82%
    Savory 21.43%
    Herbal 19.84%
    Meaty 18.82%
    Buttery 18.52%
    Roasted 18.47%
    Fresh 18.37%
    Woody 17.96%

     

    Flavor
    Bitter 39.23%
    Odorless 35.36%
    Fruity 21.9%
    Bland 21.4%
    Mild 20.41%
    Sweet-like 19.72%
    Bread crust 19.0%
    Yeast 18.96%
    Orange flower 18.8%
    Matches 18.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.01 (weak acid)

    Molecular weight
    168.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point

    • -1.28 ˚C est.

  • Synonyms

    • 17129-06-5
    • DTXSID70420776
    • RefChem:522575
    • DTXCID301073271
    • 629-004-6
    • 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
    • 3-BUTEN-2-ONE, 4-ETHOXY-1,1,1-TRIFLUORO-
    • MFCD00192131
    • 4-ethoxy-1,1,1-trifluoro-but-3-en-2-one
    • (3Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
    • SCHEMBL22026
    • 4-Ethoxy-1,1,1-Trifluoro-3-Buten-2-One, Stab.
    • 4-ethoxy-trifluoro-but-3-en-2-one
    • AB04641
    • SB11842
    • (2-Ethyloxyvinyl) trifluoromethyl ketone
    • ethoxy-1,1,1-trifluoro-3-buten-2-one
    • 4ethoxy-1,1,1-trifluoro-3-buten-2-one
    • 1,1,1-trifluoro-4-ethoxybut-3-en-2-one
    • DB-012941
    • 1,1,1-trifluoro-4-ethoxy-3-butene-2-one
    • 4-ethoxy-1,1,1-trifluoro-3-butene-2-one
    • A3778
    • 4-(ethoxy)-1,1,1-trifluoro-3-buten-2-one
    • D78021
    • 4-(Ethyloxy)-1,1,1-trifluoro-3-buten-2-one
    • 4-Ethoxy-1,1,1-trifluorobut-3-en-2-one (stab. 0.5% BHT)
    • 17129-06-5

  • Applications

    4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5) is a specialized organic intermediate with practical relevance across several industrial synthesis pathways: it may serve as a building block for pharmaceutical and agrochemical compounds; it can be used as a starting material for specialty polymers and plastics; it may be explored as a precursor in fragrance and perfumery applications; it can function as a reactive intermediate in coatings and inks to impart functional surface properties; and it may participate in cleaning formulations or as a specialty additive depending on formulation, with specific applications limited by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 682.41
    methanol 1002.02
    isopropanol 387.56
    water 3.2
    ethyl acetate 1289.59
    n-propanol 363.37
    acetone 2500.45
    n-butanol 327.06
    acetonitrile 1671.3
    DMF 5511.88
    toluene 554.91
    isobutanol 257.76
    1,4-dioxane 1237.57
    methyl acetate 1635.88
    THF 2524.17
    2-butanone 1460.19
    n-pentanol 242.11
    sec-butanol 371.28
    n-hexane 36.25
    ethylene glycol 243.57
    NMP 5745.88
    cyclohexane 55.45
    DMSO 8384.12
    n-butyl acetate 589.68
    n-octanol 108.45
    chloroform 1201.86
    n-propyl acetate 621.5
    acetic acid 1263.29
    dichloromethane 2259.92
    cyclohexanone 1209.68
    propylene glycol 237.83
    isopropyl acetate 703.38
    DMAc 4018.76
    2-ethoxyethanol 903.14
    isopentanol 317.86
    n-heptane 28.79
    ethyl formate 881.14
    1,2-dichloroethane 1860.93
    n-hexanol 200.61
    2-methoxyethanol 1807.91
    isobutyl acetate 197.99
    tetrachloromethane 218.36
    n-pentyl acetate 324.26
    transcutol 2569.75
    n-heptanol 93.61
    ethylbenzene 275.34
    MIBK 562.16
    2-propoxyethanol 664.01
    tert-butanol 540.85
    MTBE 710.08
    2-butoxyethanol 330.43
    propionic acid 561.92
    o-xylene 420.83
    formic acid 1039.63
    diethyl ether 720.84
    m-xylene 353.82
    p-xylene 291.47
    chlorobenzene 636.3
    dimethyl carbonate 991.26
    n-octane 10.93
    formamide 2967.33
    cyclopentanone 2175.32
    2-pentanone 1143.97
    anisole 964.13
    cyclopentyl methyl ether 1081.82
    gamma-butyrolactone 2746.28
    1-methoxy-2-propanol 1189.88
    pyridine 1686.31
    3-pentanone 893.61
    furfural 3346.43
    n-dodecane 8.22
    diethylene glycol 667.83
    diisopropyl ether 202.68
    tert-amyl alcohol 565.79
    acetylacetone 2122.4
    n-hexadecane 9.87
    acetophenone 1039.99
    methyl propionate 1283.75
    isopentyl acetate 449.8
    trichloroethylene 3432.17
    n-nonanol 99.26
    cyclohexanol 299.66
    benzyl alcohol 591.58
    2-ethylhexanol 141.9
    isooctanol 78.49
    dipropyl ether 232.62
    1,2-dichlorobenzene 730.14
    ethyl lactate 335.66
    propylene carbonate 1258.09
    n-methylformamide 2429.46
    2-pentanol 277.17
    n-pentane 47.62
    1-propoxy-2-propanol 438.25
    1-methoxy-2-propyl acetate 857.73
    2-(2-methoxypropoxy) propanol 559.2
    mesitylene 195.53
    ε-caprolactone 1177.35
    p-cymene 149.66
    epichlorohydrin 3527.85
    1,1,1-trichloroethane 1163.75
    2-aminoethanol 369.48
    morpholine-4-carbaldehyde 3531.99
    sulfolane 4645.6
    2,2,4-trimethylpentane 34.48
    2-methyltetrahydrofuran 1773.01
    n-hexyl acetate 458.77
    isooctane 19.35
    2-(2-butoxyethoxy)ethanol 680.8
    sec-butyl acetate 381.41
    tert-butyl acetate 851.6
    decalin 40.5
    glycerin 394.99
    diglyme 1708.6
    acrylic acid 776.55
    isopropyl myristate 146.19
    n-butyric acid 624.18
    acetyl acetate 1051.66
    di(2-ethylhexyl) phthalate 175.98
    ethyl propionate 635.61
    nitromethane 5579.85
    1,2-diethoxyethane 691.18
    benzonitrile 750.32
    trioctyl phosphate 103.99
    1-bromopropane 606.95
    gamma-valerolactone 2818.43
    n-decanol 74.11
    triethyl phosphate 228.08
    4-methyl-2-pentanol 152.66
    propionitrile 584.22
    vinylene carbonate 1090.58
    1,1,2-trichlorotrifluoroethane 2194.31
    DMS 883.12
    cumene 150.41
    2-octanol 71.56
    2-hexanone 575.06
    octyl acetate 212.74
    limonene 237.01
    1,2-dimethoxyethane 1711.32
    ethyl orthosilicate 190.33
    tributyl phosphate 165.33
    diacetone alcohol 1076.53
    N,N-dimethylaniline 655.01
    acrylonitrile 1233.86
    aniline 686.35
    1,3-propanediol 491.82
    bromobenzene 664.29
    dibromomethane 1215.95
    1,1,2,2-tetrachloroethane 2196.87
    2-methyl-cyclohexyl acetate 320.35
    tetrabutyl urea 261.74
    diisobutyl methanol 95.44
    2-phenylethanol 460.67
    styrene 404.78
    dioctyl adipate 281.51
    dimethyl sulfate 2375.66
    ethyl butyrate 418.54
    methyl lactate 763.16
    butyl lactate 272.45
    diethyl carbonate 315.18
    propanediol butyl ether 333.23
    triethyl orthoformate 249.98
    p-tert-butyltoluene 144.57
    methyl 4-tert-butylbenzoate 592.07
    morpholine 1545.04
    tert-butylamine 273.12
    n-dodecanol 53.87
    dimethoxymethane 2078.65
    ethylene carbonate 722.9
    cyrene 744.88
    2-ethoxyethyl acetate 764.39
    2-ethylhexyl acetate 346.35
    1,2,4-trichlorobenzene 971.97
    4-methylpyridine 1919.73
    dibutyl ether 187.69
    2,6-dimethyl-4-heptanol 95.44
    DEF 2074.73
    dimethyl isosorbide 1291.24
    tetrachloroethylene 1420.9
    eugenol 521.27
    triacetin 696.46
    span 80 349.52
    1,4-butanediol 189.19
    1,1-dichloroethane 1074.47
    2-methyl-1-pentanol 259.92
    methyl formate 2106.59
    2-methyl-1-butanol 321.98
    n-decane 13.75
    butyronitrile 493.96
    3,7-dimethyl-1-octanol 145.8
    1-chlorooctane 87.3
    1-chlorotetradecane 34.34
    n-nonane 13.12
    undecane 10.6
    tert-butylcyclohexane 30.14
    cyclooctane 25.39
    cyclopentanol 429.95
    tetrahydropyran 778.09
    tert-amyl methyl ether 721.83
    2,5,8-trioxanonane 1134.17
    1-hexene 148.73
    2-isopropoxyethanol 496.77
    2,2,2-trifluoroethanol 593.08
    methyl butyrate 820.65

    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