Ethyl 3-methyl-2-oxopentanoate

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  • Identifiers

    CAS number
    26516-27-8

    Molecular formula
    C8H14O3

    SMILES
    CCC(C)C(=O)C(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 76.82%
    Caramellic 52.27%
    Herbal 46.17%
    Sweet 34.6%
    Apple 34.43%
    Buttery 34.14%
    Woody 32.78%
    Winey 32.02%
    Berry 30.86%
    Floral 30.3%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    158.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point est.
    68.63 ˚C

  • Synonyms

    • ethyl 3-methyl-2-oxopentanoate
    • Pentanoic acid, 3-methyl-2-oxo-, ethyl ester
    • 26516-27-8
    • 5V9ZD1U3Q9
    • UNII-5V9ZD1U3Q9
    • 2-Oxo-3-methylpentanoic acid ethyl ester
    • FEMA NO. 4903
    • DTXSID40885358
    • 3-Methyl-2-oxo-valeric Acid Ethyl Ester
    • SCHEMBL1088298
    • HCDYSXWWIWPQEN-UHFFFAOYSA-N
    • DTXCID601024742
    • DB-157604
    • Nuezate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1159.99
    methanol 1372.86
    isopropanol 1142.08
    water 6.91
    ethyl acetate 597.23
    n-propanol 1041.11
    acetone 1054.78
    n-butanol 990.13
    acetonitrile 1040.21
    DMF 1813.24
    toluene 359.05
    isobutanol 846.68
    1,4-dioxane 1479.97
    methyl acetate 884.08
    THF 1121.95
    2-butanone 958.55
    n-pentanol 798.26
    sec-butanol 1200.42
    n-hexane 88.75
    ethylene glycol 328.82
    NMP 1432.89
    cyclohexane 252.18
    DMSO 1046.73
    n-butyl acetate 590.76
    n-octanol 403.47
    chloroform 2527.07
    n-propyl acetate 442.51
    acetic acid 1368.33
    dichloromethane 2146.79
    cyclohexanone 1536.03
    propylene glycol 423.96
    isopropyl acetate 333.28
    DMAc 1223.46
    2-ethoxyethanol 791.49
    isopentanol 734.1
    n-heptane 48.08
    ethyl formate 712.3
    1,2-dichloroethane 1418.67
    n-hexanol 702.34
    2-methoxyethanol 1297.71
    isobutyl acetate 251.32
    tetrachloromethane 423.12
    n-pentyl acetate 414.05
    transcutol 1235.44
    n-heptanol 378.75
    ethylbenzene 278.1
    MIBK 318.58
    2-propoxyethanol 774.63
    tert-butanol 1139.45
    MTBE 680.89
    2-butoxyethanol 512.2
    propionic acid 921.4
    o-xylene 291.05
    formic acid 501.64
    diethyl ether 555.28
    m-xylene 233.88
    p-xylene 388.65
    chlorobenzene 844.91
    dimethyl carbonate 230.63
    n-octane 41.37
    formamide 766.88
    cyclopentanone 1165.25
    2-pentanone 591.5
    anisole 487.34
    cyclopentyl methyl ether 474.53
    gamma-butyrolactone 1348.04
    1-methoxy-2-propanol 825.33
    pyridine 1437.04
    3-pentanone 456.76
    furfural 1536.78
    n-dodecane 39.24
    diethylene glycol 616.45
    diisopropyl ether 147.82
    tert-amyl alcohol 1131.47
    acetylacetone 536.48
    n-hexadecane 44.99
    acetophenone 534.03
    methyl propionate 513.59
    isopentyl acetate 497.98
    trichloroethylene 2763.75
    n-nonanol 341.36
    cyclohexanol 1129.08
    benzyl alcohol 599.17
    2-ethylhexanol 369.69
    isooctanol 274.43
    dipropyl ether 208.06
    1,2-dichlorobenzene 783.42
    ethyl lactate 265.4
    propylene carbonate 795.28
    n-methylformamide 1078.33
    2-pentanol 655.95
    n-pentane 93.79
    1-propoxy-2-propanol 516.96
    1-methoxy-2-propyl acetate 356.3
    2-(2-methoxypropoxy) propanol 383.11
    mesitylene 169.87
    ε-caprolactone 1164.43
    p-cymene 170.51
    epichlorohydrin 1400.46
    1,1,1-trichloroethane 1237.55
    2-aminoethanol 606.91
    morpholine-4-carbaldehyde 1172.07
    sulfolane 1374.57
    2,2,4-trimethylpentane 61.65
    2-methyltetrahydrofuran 889.32
    n-hexyl acetate 584.21
    isooctane 37.82
    2-(2-butoxyethoxy)ethanol 553.29
    sec-butyl acetate 253.31
    tert-butyl acetate 334.58
    decalin 96.81
    glycerin 484.89
    diglyme 955.24
    acrylic acid 858.63
    isopropyl myristate 195.33
    n-butyric acid 1020.14
    acetyl acetate 371.18
    di(2-ethylhexyl) phthalate 211.38
    ethyl propionate 347.41
    nitromethane 1776.2
    1,2-diethoxyethane 451.84
    benzonitrile 917.07
    trioctyl phosphate 169.35
    1-bromopropane 720.7
    gamma-valerolactone 1508.46
    n-decanol 243.12
    triethyl phosphate 187.07
    4-methyl-2-pentanol 289.09
    propionitrile 901.91
    vinylene carbonate 887.25
    1,1,2-trichlorotrifluoroethane 1134.61
    DMS 368.82
    cumene 197.63
    2-octanol 330.18
    2-hexanone 490.84
    octyl acetate 273.28
    limonene 241.97
    1,2-dimethoxyethane 1150.05
    ethyl orthosilicate 171.16
    tributyl phosphate 187.06
    diacetone alcohol 474.27
    N,N-dimethylaniline 327.47
    acrylonitrile 1209.79
    aniline 600.91
    1,3-propanediol 869.97
    bromobenzene 818.28
    dibromomethane 1430.46
    1,1,2,2-tetrachloroethane 2212.56
    2-methyl-cyclohexyl acetate 300.95
    tetrabutyl urea 251.64
    diisobutyl methanol 187.55
    2-phenylethanol 512.25
    styrene 369.18
    dioctyl adipate 268.19
    dimethyl sulfate 357.27
    ethyl butyrate 338.36
    methyl lactate 338.95
    butyl lactate 339.55
    diethyl carbonate 280.24
    propanediol butyl ether 543.29
    triethyl orthoformate 237.48
    p-tert-butyltoluene 168.5
    methyl 4-tert-butylbenzoate 405.68
    morpholine 1612.09
    tert-butylamine 695.45
    n-dodecanol 175.69
    dimethoxymethane 592.43
    ethylene carbonate 694.24
    cyrene 380.76
    2-ethoxyethyl acetate 436.53
    2-ethylhexyl acetate 380.59
    1,2,4-trichlorobenzene 875.18
    4-methylpyridine 1159.66
    dibutyl ether 298.73
    2,6-dimethyl-4-heptanol 187.55
    DEF 784.35
    dimethyl isosorbide 530.3
    tetrachloroethylene 1512.74
    eugenol 428.04
    triacetin 389.8
    span 80 398.44
    1,4-butanediol 467.79
    1,1-dichloroethane 1327.98
    2-methyl-1-pentanol 646.87
    methyl formate 792.59
    2-methyl-1-butanol 785.0
    n-decane 62.87
    butyronitrile 965.78
    3,7-dimethyl-1-octanol 320.24
    1-chlorooctane 251.84
    1-chlorotetradecane 99.6
    n-nonane 61.13
    undecane 49.18
    tert-butylcyclohexane 74.12
    cyclooctane 60.06
    cyclopentanol 1060.36
    tetrahydropyran 1295.97
    tert-amyl methyl ether 486.72
    2,5,8-trioxanonane 609.08
    1-hexene 316.81
    2-isopropoxyethanol 483.77
    2,2,2-trifluoroethanol 415.17
    methyl butyrate 604.08

    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