4-Ethoxy-2-pentanone

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  • Identifiers

    CAS number
    33330-50-6

    Molecular formula
    C7H14O2

    SMILES
    CCOC(C)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.5%
    Ethereal 58.7%
    Green 54.82%
    Sweet 50.29%
    Fermented 40.37%
    Herbal 39.78%
    Pungent 39.5%
    Earthy 36.12%
    Apple 35.67%
    Ketonic 34.83%

     

    Flavor
    Fruity 45.22%
    Ethereal 45.21%
    Sweet 40.56%
    Ether 37.16%
    Herbal 35.87%
    Fruit 33.63%
    Earthy 33.04%
    Green 31.72%
    Vegetable 30.64%
    Bitter 29.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.79 (neutral)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    158°C

    Flash point

    • 43.42 ˚C est.

  • Synonyms

    • 33330-50-6
    • 4-Ethoxy-2-pentanone
    • RefChem:1070582
    • 4-ethoxypentan-2-one
    • 2-Pentanone, 4-ethoxy-
    • SCHEMBL7172284
    • DTXSID70475584
    • AKOS014025336
    • EN300-1852938
    • 33330-50-6

  • Applications

    4-Ethoxy-2-pentanone (CAS 33330-50-6) is primarily used as an intermediate in organic synthesis to access functionalized ketone motifs and related compounds; it can also function as a solvent or processing medium in various industrial manufacturing steps; it serves as a fragrance and flavor intermediate or precursor in fragrance chemistry; it is employed in coatings, inks, and adhesives as a reactive diluent or formulation component; and it acts as a synthetic building block in pharmaceutical R&D for drug-like molecules, subject to applicable regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1703.36
    methanol 2772.41
    isopropanol 1304.17
    water 110.54
    ethyl acetate 534.15
    n-propanol 1157.14
    acetone 817.79
    n-butanol 974.0
    acetonitrile 965.03
    DMF 1047.66
    toluene 254.35
    isobutanol 789.31
    1,4-dioxane 1425.64
    methyl acetate 623.94
    THF 1388.38
    2-butanone 487.53
    n-pentanol 524.42
    sec-butanol 913.82
    n-hexane 174.57
    ethylene glycol 814.68
    NMP 1131.06
    cyclohexane 345.47
    DMSO 804.51
    n-butyl acetate 251.82
    n-octanol 345.63
    chloroform 1824.31
    n-propyl acetate 220.03
    acetic acid 1777.72
    dichloromethane 1460.03
    cyclohexanone 887.19
    propylene glycol 852.96
    isopropyl acetate 246.86
    DMAc 934.96
    2-ethoxyethanol 706.12
    isopentanol 599.39
    n-heptane 129.12
    ethyl formate 447.28
    1,2-dichloroethane 612.83
    n-hexanol 659.54
    2-methoxyethanol 1458.58
    isobutyl acetate 136.18
    tetrachloromethane 400.78
    n-pentyl acetate 203.16
    transcutol 1474.66
    n-heptanol 218.65
    ethylbenzene 133.91
    MIBK 190.92
    2-propoxyethanol 817.14
    tert-butanol 1178.7
    MTBE 499.38
    2-butoxyethanol 321.95
    propionic acid 978.41
    o-xylene 200.4
    formic acid 955.41
    diethyl ether 598.03
    m-xylene 171.09
    p-xylene 179.38
    chlorobenzene 339.91
    dimethyl carbonate 167.07
    n-octane 39.71
    formamide 705.93
    cyclopentanone 735.92
    2-pentanone 366.36
    anisole 289.44
    cyclopentyl methyl ether 635.77
    gamma-butyrolactone 938.67
    1-methoxy-2-propanol 912.1
    pyridine 641.62
    3-pentanone 310.52
    furfural 803.32
    n-dodecane 36.68
    diethylene glycol 782.13
    diisopropyl ether 139.38
    tert-amyl alcohol 863.07
    acetylacetone 369.41
    n-hexadecane 39.48
    acetophenone 244.24
    methyl propionate 423.57
    isopentyl acetate 195.97
    trichloroethylene 982.44
    n-nonanol 277.54
    cyclohexanol 1030.5
    benzyl alcohol 329.11
    2-ethylhexanol 290.31
    isooctanol 155.36
    dipropyl ether 280.36
    1,2-dichlorobenzene 313.34
    ethyl lactate 178.75
    propylene carbonate 477.77
    n-methylformamide 739.91
    2-pentanol 551.27
    n-pentane 201.57
    1-propoxy-2-propanol 490.78
    1-methoxy-2-propyl acetate 285.9
    2-(2-methoxypropoxy) propanol 376.57
    mesitylene 107.1
    ε-caprolactone 761.75
    p-cymene 101.95
    epichlorohydrin 823.65
    1,1,1-trichloroethane 715.74
    2-aminoethanol 1050.05
    morpholine-4-carbaldehyde 1187.98
    sulfolane 834.72
    2,2,4-trimethylpentane 71.78
    2-methyltetrahydrofuran 1008.13
    n-hexyl acetate 412.15
    isooctane 37.97
    2-(2-butoxyethoxy)ethanol 523.19
    sec-butyl acetate 142.29
    tert-butyl acetate 241.93
    decalin 89.94
    glycerin 917.89
    diglyme 752.29
    acrylic acid 804.28
    isopropyl myristate 143.72
    n-butyric acid 901.79
    acetyl acetate 348.02
    di(2-ethylhexyl) phthalate 158.03
    ethyl propionate 228.28
    nitromethane 1421.58
    1,2-diethoxyethane 341.19
    benzonitrile 366.74
    trioctyl phosphate 112.22
    1-bromopropane 467.0
    gamma-valerolactone 1050.52
    n-decanol 188.12
    triethyl phosphate 120.12
    4-methyl-2-pentanol 222.89
    propionitrile 629.38
    vinylene carbonate 496.5
    1,1,2-trichlorotrifluoroethane 825.08
    DMS 253.72
    cumene 101.09
    2-octanol 172.01
    2-hexanone 231.67
    octyl acetate 203.99
    limonene 201.01
    1,2-dimethoxyethane 888.22
    ethyl orthosilicate 119.78
    tributyl phosphate 134.67
    diacetone alcohol 344.19
    N,N-dimethylaniline 210.84
    acrylonitrile 621.71
    aniline 428.92
    1,3-propanediol 1071.86
    bromobenzene 313.11
    dibromomethane 958.98
    1,1,2,2-tetrachloroethane 858.94
    2-methyl-cyclohexyl acetate 193.57
    tetrabutyl urea 184.64
    diisobutyl methanol 133.98
    2-phenylethanol 302.14
    styrene 167.68
    dioctyl adipate 227.01
    dimethyl sulfate 239.02
    ethyl butyrate 197.85
    methyl lactate 311.13
    butyl lactate 198.95
    diethyl carbonate 143.33
    propanediol butyl ether 426.72
    triethyl orthoformate 156.58
    p-tert-butyltoluene 102.19
    methyl 4-tert-butylbenzoate 256.71
    morpholine 1578.15
    tert-butylamine 757.1
    n-dodecanol 139.89
    dimethoxymethane 554.48
    ethylene carbonate 424.97
    cyrene 312.6
    2-ethoxyethyl acetate 256.97
    2-ethylhexyl acetate 163.4
    1,2,4-trichlorobenzene 384.48
    4-methylpyridine 640.07
    dibutyl ether 256.86
    2,6-dimethyl-4-heptanol 133.98
    DEF 547.63
    dimethyl isosorbide 510.43
    tetrachloroethylene 672.46
    eugenol 259.5
    triacetin 383.54
    span 80 390.89
    1,4-butanediol 426.46
    1,1-dichloroethane 745.41
    2-methyl-1-pentanol 378.64
    methyl formate 518.94
    2-methyl-1-butanol 634.82
    n-decane 60.78
    butyronitrile 594.43
    3,7-dimethyl-1-octanol 270.4
    1-chlorooctane 179.2
    1-chlorotetradecane 76.5
    n-nonane 63.25
    undecane 44.54
    tert-butylcyclohexane 78.55
    cyclooctane 86.66
    cyclopentanol 996.63
    tetrahydropyran 1150.99
    tert-amyl methyl ether 383.42
    2,5,8-trioxanonane 591.48
    1-hexene 319.07
    2-isopropoxyethanol 400.0
    2,2,2-trifluoroethanol 544.06
    methyl butyrate 296.6

    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