2-Ethylhexyl 4-oxovalerate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    70158-20-2

    Molecular formula
    C13H24O3

    SMILES
    CCCCC(CC)COC(=O)CCC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.82%
    Herbal 50.88%
    Oily 41.48%
    Fatty 34.61%
    Sweet 31.91%
    Winey 28.6%
    Lactonic 28.44%
    Floral 28.37%
    Buttery 26.37%
    Caramellic 26.21%

     

    Flavor
    Fruity 76.71%
    Green 55.31%
    Sweet 46.1%
    Tropical 43.59%
    Herbal 41.37%
    Pineapple 39.89%
    Waxy 38.44%
    Berry 37.53%
    Apple 36.12%
    Oily 34.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.39 (weak base)

    Molecular weight
    228.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 125.43 ˚C est.

  • Synonyms

    • 2-Ethylhexyl 4-oxovalerate
    • EINECS 274-346-8
    • 70158-20-2
    • 2-ethylhexyl 4-oxopentanoate
    • SCHEMBL11214927
    • DTXSID10990403
    • XCYQOBFKQPQEMV-UHFFFAOYSA-N
    • NS00061342
    • 70158-20-2

  • Applications

    2-Ethylhexyl 4-oxovalerate, CAS 70158-20-2, is used primarily as an intermediate and solvent in chemical synthesis. In polymers and plastics it can function as a plasticizer or processing aid; in coatings and inks it serves as a solvent and processing aid to control evaporation, flow, and leveling; in cosmetics and personal care it may be employed as a solvent or carrier in formulations; in perfumery it can act as a fragrance solvent or aroma carrier, and in general industrial manufacturing it supports various processing steps as a processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2187.29
    methanol 2725.47
    isopropanol 1570.3
    water 0.31
    ethyl acetate 1634.58
    n-propanol 1204.0
    acetone 1530.22
    n-butanol 995.92
    acetonitrile 1292.58
    DMF 1200.93
    toluene 426.55
    isobutanol 857.15
    1,4-dioxane 1767.6
    methyl acetate 1170.88
    THF 1985.86
    2-butanone 1295.6
    n-pentanol 844.51
    sec-butanol 1138.02
    n-hexane 49.89
    ethylene glycol 128.88
    NMP 811.69
    cyclohexane 84.62
    DMSO 1436.77
    n-butyl acetate 1005.66
    n-octanol 234.07
    chloroform 2114.03
    n-propyl acetate 912.39
    acetic acid 1029.45
    dichloromethane 1960.88
    cyclohexanone 1488.43
    propylene glycol 292.86
    isopropyl acetate 999.51
    DMAc 1264.13
    2-ethoxyethanol 1173.56
    isopentanol 960.55
    n-heptane 17.03
    ethyl formate 754.13
    1,2-dichloroethane 1233.94
    n-hexanol 640.89
    2-methoxyethanol 1600.88
    isobutyl acetate 612.19
    tetrachloromethane 216.45
    n-pentyl acetate 472.14
    transcutol 2660.24
    n-heptanol 215.95
    ethylbenzene 268.37
    MIBK 659.75
    2-propoxyethanol 1017.65
    tert-butanol 1644.73
    MTBE 1301.14
    2-butoxyethanol 510.51
    propionic acid 694.89
    o-xylene 283.02
    formic acid 250.06
    diethyl ether 1074.65
    m-xylene 284.54
    p-xylene 368.83
    chlorobenzene 556.58
    dimethyl carbonate 191.31
    n-octane 11.76
    formamide 395.68
    cyclopentanone 1219.97
    2-pentanone 997.86
    anisole 607.67
    cyclopentyl methyl ether 747.12
    gamma-butyrolactone 1310.18
    1-methoxy-2-propanol 1109.88
    pyridine 1295.12
    3-pentanone 555.13
    furfural 1103.77
    n-dodecane 12.72
    diethylene glycol 582.27
    diisopropyl ether 244.77
    tert-amyl alcohol 1233.88
    acetylacetone 1072.27
    n-hexadecane 15.11
    acetophenone 569.08
    methyl propionate 696.74
    isopentyl acetate 982.25
    trichloroethylene 2000.24
    n-nonanol 204.32
    cyclohexanol 764.37
    benzyl alcohol 551.73
    2-ethylhexanol 357.24
    isooctanol 196.19
    dipropyl ether 305.63
    1,2-dichlorobenzene 505.88
    ethyl lactate 288.4
    propylene carbonate 777.98
    n-methylformamide 590.23
    2-pentanol 660.53
    n-pentane 33.16
    1-propoxy-2-propanol 708.53
    1-methoxy-2-propyl acetate 794.08
    2-(2-methoxypropoxy) propanol 511.01
    mesitylene 161.27
    ε-caprolactone 1358.32
    p-cymene 135.09
    epichlorohydrin 1680.66
    1,1,1-trichloroethane 1163.02
    2-aminoethanol 447.91
    morpholine-4-carbaldehyde 1110.16
    sulfolane 1089.36
    2,2,4-trimethylpentane 33.99
    2-methyltetrahydrofuran 1547.81
    n-hexyl acetate 608.29
    isooctane 25.5
    2-(2-butoxyethoxy)ethanol 744.59
    sec-butyl acetate 675.78
    tert-butyl acetate 855.98
    decalin 62.23
    glycerin 306.46
    diglyme 1383.38
    acrylic acid 414.15
    isopropyl myristate 205.16
    n-butyric acid 1311.14
    acetyl acetate 733.39
    di(2-ethylhexyl) phthalate 203.57
    ethyl propionate 678.04
    nitromethane 1449.35
    1,2-diethoxyethane 957.39
    benzonitrile 673.61
    trioctyl phosphate 135.29
    1-bromopropane 775.27
    gamma-valerolactone 1707.07
    n-decanol 141.06
    triethyl phosphate 214.25
    4-methyl-2-pentanol 368.22
    propionitrile 838.24
    vinylene carbonate 679.98
    1,1,2-trichlorotrifluoroethane 910.35
    DMS 433.92
    cumene 175.64
    2-octanol 173.02
    2-hexanone 798.6
    octyl acetate 252.38
    limonene 208.49
    1,2-dimethoxyethane 1862.26
    ethyl orthosilicate 219.23
    tributyl phosphate 196.23
    diacetone alcohol 833.53
    N,N-dimethylaniline 361.78
    acrylonitrile 859.46
    aniline 537.38
    1,3-propanediol 774.89
    bromobenzene 614.45
    dibromomethane 1277.96
    1,1,2,2-tetrachloroethane 1739.37
    2-methyl-cyclohexyl acetate 410.79
    tetrabutyl urea 225.08
    diisobutyl methanol 178.71
    2-phenylethanol 472.73
    styrene 376.12
    dioctyl adipate 326.27
    dimethyl sulfate 291.79
    ethyl butyrate 591.75
    methyl lactate 275.67
    butyl lactate 355.81
    diethyl carbonate 368.37
    propanediol butyl ether 464.4
    triethyl orthoformate 353.37
    p-tert-butyltoluene 129.14
    methyl 4-tert-butylbenzoate 385.29
    morpholine 2358.87
    tert-butylamine 837.95
    n-dodecanol 100.77
    dimethoxymethane 750.54
    ethylene carbonate 641.73
    cyrene 400.49
    2-ethoxyethyl acetate 681.57
    2-ethylhexyl acetate 669.42
    1,2,4-trichlorobenzene 589.64
    4-methylpyridine 1322.16
    dibutyl ether 363.61
    2,6-dimethyl-4-heptanol 178.71
    DEF 986.31
    dimethyl isosorbide 732.19
    tetrachloroethylene 990.41
    eugenol 398.63
    triacetin 564.39
    span 80 432.61
    1,4-butanediol 349.42
    1,1-dichloroethane 1388.85
    2-methyl-1-pentanol 756.79
    methyl formate 393.49
    2-methyl-1-butanol 788.21
    n-decane 22.83
    butyronitrile 1038.53
    3,7-dimethyl-1-octanol 301.35
    1-chlorooctane 147.44
    1-chlorotetradecane 51.13
    n-nonane 20.22
    undecane 16.34
    tert-butylcyclohexane 58.02
    cyclooctane 18.06
    cyclopentanol 696.5
    tetrahydropyran 1727.3
    tert-amyl methyl ether 740.73
    2,5,8-trioxanonane 872.59
    1-hexene 346.33
    2-isopropoxyethanol 828.28
    2,2,2-trifluoroethanol 217.71
    methyl butyrate 1055.36

    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