Butyl 2,4-dioxovalerate

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  • Identifiers

    CAS number
    10153-83-0

    Molecular formula
    C9H14O4

    SMILES
    CCCCOC(=O)C(=O)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 87.45%
    Caramellic 81.25%
    Sweet 70.41%
    Winey 48.87%
    Buttery 46.26%
    Herbal 45.04%
    Creamy 43.58%
    Floral 41.27%
    Fatty 35.64%
    Burnt 35.45%

     

    Flavor
    Fruity 68.12%
    Creamy 43.98%
    Caramel 41.71%
    Sweet 37.72%
    Buttery 37.47%
    Butter 34.82%
    Fatty 34.19%
    Cheese 31.6%
    Oily 28.72%
    Berry 26.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.23 (neutral)

    Molecular weight
    186.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 102.04 ˚C est.

  • Synonyms

    • butyl 2,4-dioxopentanoate
    • Butyl 2,4-dioxovalerate
    • Pentanoic acid, 2,4-dioxo-, butyl ester
    • EINECS 233-423-6
    • 94443GXS2V
    • DTXSID40143985
    • VALERIC ACID, 2,4-DIOXO-, BUTYL ESTER
    • RefChem:122202
    • DTXCID8066476
    • 233-423-6
    • 10153-83-0
    • butyl 2,4-dioxo-pentanoate
    • UNII-94443GXS2V
    • FOMYYQMPVKGWON-UHFFFAOYSA-N
    • NS00023065
    • 10153-83-0

  • Applications

    Butyl 2,4-dioxovalerate (CAS 10153-83-0) is primarily used as an organic-synthesis intermediate, offering a beta-dicarbonyl ester framework that can be converted into heterocycles and other fine-chemical building blocks. In pharmaceutical manufacturing, it is evaluated as a precursor for intermediate compounds and in the synthesis of complex organic molecules. In polymer and coating applications, it can serve as a reactive monomer or crosslinking component in specialty resins and coating systems. It is also used as a starting material for agrochemical intermediates. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 915.53
    methanol 1540.3
    isopropanol 557.45
    water 2.23
    ethyl acetate 301.77
    n-propanol 527.21
    acetone 834.36
    n-butanol 528.14
    acetonitrile 410.28
    DMF 1816.31
    toluene 134.57
    isobutanol 365.11
    1,4-dioxane 638.78
    methyl acetate 366.92
    THF 859.16
    2-butanone 452.28
    n-pentanol 327.08
    sec-butanol 455.14
    n-hexane 12.11
    ethylene glycol 256.46
    NMP 1138.21
    cyclohexane 23.56
    DMSO 1504.54
    n-butyl acetate 243.12
    n-octanol 76.92
    chloroform 581.9
    n-propyl acetate 172.36
    acetic acid 1088.72
    dichloromethane 615.32
    cyclohexanone 676.23
    propylene glycol 277.75
    isopropyl acetate 193.38
    DMAc 1216.84
    2-ethoxyethanol 520.94
    isopentanol 441.0
    n-heptane 4.09
    ethyl formate 309.23
    1,2-dichloroethane 550.18
    n-hexanol 218.96
    2-methoxyethanol 1109.21
    isobutyl acetate 113.57
    tetrachloromethane 45.25
    n-pentyl acetate 104.71
    transcutol 1179.93
    n-heptanol 68.34
    ethylbenzene 88.72
    MIBK 219.24
    2-propoxyethanol 437.67
    tert-butanol 662.38
    MTBE 287.91
    2-butoxyethanol 196.24
    propionic acid 395.69
    o-xylene 111.47
    formic acid 518.35
    diethyl ether 221.69
    m-xylene 104.34
    p-xylene 115.98
    chlorobenzene 225.36
    dimethyl carbonate 137.81
    n-octane 2.7
    formamide 767.22
    cyclopentanone 700.32
    2-pentanone 371.04
    anisole 235.73
    cyclopentyl methyl ether 307.9
    gamma-butyrolactone 790.52
    1-methoxy-2-propanol 647.99
    pyridine 506.46
    3-pentanone 211.32
    furfural 790.46
    n-dodecane 3.18
    diethylene glycol 468.5
    diisopropyl ether 50.98
    tert-amyl alcohol 535.9
    acetylacetone 440.59
    n-hexadecane 3.73
    acetophenone 256.89
    methyl propionate 281.04
    isopentyl acetate 225.84
    trichloroethylene 960.47
    n-nonanol 65.64
    cyclohexanol 408.39
    benzyl alcohol 281.42
    2-ethylhexanol 112.67
    isooctanol 59.48
    dipropyl ether 60.83
    1,2-dichlorobenzene 222.33
    ethyl lactate 125.38
    propylene carbonate 402.98
    n-methylformamide 699.88
    2-pentanol 278.99
    n-pentane 11.51
    1-propoxy-2-propanol 256.69
    1-methoxy-2-propyl acetate 240.18
    2-(2-methoxypropoxy) propanol 249.12
    mesitylene 59.79
    ε-caprolactone 536.04
    p-cymene 47.75
    epichlorohydrin 916.5
    1,1,1-trichloroethane 313.64
    2-aminoethanol 435.62
    morpholine-4-carbaldehyde 936.32
    sulfolane 956.33
    2,2,4-trimethylpentane 10.42
    2-methyltetrahydrofuran 587.38
    n-hexyl acetate 171.83
    isooctane 6.63
    2-(2-butoxyethoxy)ethanol 337.25
    sec-butyl acetate 122.45
    tert-butyl acetate 236.52
    decalin 18.95
    glycerin 377.63
    diglyme 615.56
    acrylic acid 409.36
    isopropyl myristate 56.64
    n-butyric acid 547.79
    acetyl acetate 225.11
    di(2-ethylhexyl) phthalate 85.35
    ethyl propionate 157.23
    nitromethane 1259.49
    1,2-diethoxyethane 212.76
    benzonitrile 283.6
    trioctyl phosphate 52.59
    1-bromopropane 201.25
    gamma-valerolactone 966.66
    n-decanol 48.31
    triethyl phosphate 80.13
    4-methyl-2-pentanol 138.08
    propionitrile 287.71
    vinylene carbonate 375.08
    1,1,2-trichlorotrifluoroethane 702.74
    DMS 186.21
    cumene 61.08
    2-octanol 47.29
    2-hexanone 208.7
    octyl acetate 79.59
    limonene 73.58
    1,2-dimethoxyethane 733.84
    ethyl orthosilicate 72.14
    tributyl phosphate 77.46
    diacetone alcohol 409.23
    N,N-dimethylaniline 174.08
    acrylonitrile 433.33
    aniline 268.32
    1,3-propanediol 641.03
    bromobenzene 194.03
    dibromomethane 379.71
    1,1,2,2-tetrachloroethane 795.67
    2-methyl-cyclohexyl acetate 134.71
    tetrabutyl urea 107.78
    diisobutyl methanol 61.15
    2-phenylethanol 206.91
    styrene 114.42
    dioctyl adipate 109.35
    dimethyl sulfate 261.69
    ethyl butyrate 136.32
    methyl lactate 214.55
    butyl lactate 129.42
    diethyl carbonate 107.49
    propanediol butyl ether 248.25
    triethyl orthoformate 93.64
    p-tert-butyltoluene 44.96
    methyl 4-tert-butylbenzoate 163.97
    morpholine 931.66
    tert-butylamine 296.49
    n-dodecanol 35.46
    dimethoxymethane 498.72
    ethylene carbonate 301.97
    cyrene 258.63
    2-ethoxyethyl acetate 176.22
    2-ethylhexyl acetate 157.77
    1,2,4-trichlorobenzene 277.74
    4-methylpyridine 577.77
    dibutyl ether 74.34
    2,6-dimethyl-4-heptanol 61.15
    DEF 548.35
    dimethyl isosorbide 381.43
    tetrachloroethylene 438.71
    eugenol 194.07
    triacetin 189.61
    span 80 189.77
    1,4-butanediol 239.27
    1,1-dichloroethane 406.99
    2-methyl-1-pentanol 310.29
    methyl formate 489.33
    2-methyl-1-butanol 407.69
    n-decane 4.92
    butyronitrile 336.46
    3,7-dimethyl-1-octanol 99.93
    1-chlorooctane 34.45
    1-chlorotetradecane 14.11
    n-nonane 4.37
    undecane 3.82
    tert-butylcyclohexane 15.34
    cyclooctane 6.03
    cyclopentanol 407.62
    tetrahydropyran 503.49
    tert-amyl methyl ether 232.48
    2,5,8-trioxanonane 419.75
    1-hexene 75.75
    2-isopropoxyethanol 295.53
    2,2,2-trifluoroethanol 290.7
    methyl butyrate 267.5

    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