4-(Acetyloxy)-2-butanone

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  • Identifiers

    CAS number
    10150-87-5

    Molecular formula
    C6H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.47%
    Sweet 66.11%
    Ethereal 61.84%
    Apple 54.27%
    Green 53.38%
    Winey 49.86%
    Rummy 48.29%
    Banana 42.63%
    Caramellic 41.94%
    Fresh 40.25%

     

    Flavor
    Fruity 91.86%
    Sweet 57.33%
    Green 51.16%
    Apple 44.76%
    Ethereal 43.69%
    Bitter 42.39%
    Banana 41.95%
    Fresh 39.95%
    Pineapple 36.18%
    Pear 35.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    8.16 (weak base)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point

    • 75.41 ˚C est.

  • Synonyms

    • 10150-87-5
    • 2-Butanone, 4-(acetyloxy)-
    • 4-Acetoxy-2-butanone
    • 4-(acetyloxy)-2-Butanone
    • 5MV6V71NO6
    • NSC-78935
    • DTXSID90143970
    • RefChem:517299
    • GlyTouCan:G08655NA
    • DTXCID9066461
    • G08655NA
    • 620-826-0
    • 3-Oxobutyl acetate
    • 1-Acetoxybutan-3-one
    • 2-Butanone, 4-hydroxy-, acetate
    • MFCD00010230
    • Acetylathylacetat
    • 3-Oxobutylacetate
    • NSC78935
    • 4-ACETOXY-2-BUTANONE TECH. 90
    • NCIOpen2_000755
    • UNII-5MV6V71NO6
    • SCHEMBL40578
    • orb3023753
    • SCHEMBL2580974
    • methyl beta-acetyloxyethyl ketone
    • SCHEMBL10861165
    • CHEBI:87390
    • CH3C(O)OCH2CH2C(O)CH3
    • NSC 78935
    • AKOS006241797
    • DA-16359
    • DS-16231
    • 4-ACETOXY-2-BUTANONE TECH. 90
    • CS-0155058
    • D84229
    • Q27159585
    • 10150-87-5

  • Applications

    4-(Acetyloxy)-2-butanone (CAS 10150-87-5) is an acetyl-protected hydroxy ketone with a ketone and an ester functionality. It is typically used as an intermediate in organic synthesis. Its protecting-group character makes it suitable for carrying out selective transformations, and it is commonly evaluated as a precursor for fragrance and flavor materials, as well as for pharmaceutical synthesis. It is also relevant to materials chemistry, including polymer, coating, and ink formulations, where it can act as a reactive intermediate. In some process routes it may be employed as a solvent or reaction partner under appropriate conditions; use is subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1139.28
    methanol 2276.18
    isopropanol 721.16
    water 941.12
    ethyl acetate 403.62
    n-propanol 523.84
    acetone 1169.47
    n-butanol 420.06
    acetonitrile 1034.49
    DMF 2006.5
    toluene 78.73
    isobutanol 339.31
    1,4-dioxane 1444.55
    methyl acetate 605.87
    THF 1420.47
    2-butanone 429.62
    n-pentanol 226.23
    sec-butanol 383.47
    n-hexane 24.69
    ethylene glycol 594.99
    NMP 1786.34
    cyclohexane 41.28
    DMSO 1123.85
    n-butyl acetate 81.8
    n-octanol 127.03
    chloroform 580.55
    n-propyl acetate 159.35
    acetic acid 2054.22
    dichloromethane 648.97
    cyclohexanone 623.74
    propylene glycol 502.0
    isopropyl acetate 188.68
    DMAc 1896.14
    2-ethoxyethanol 576.6
    isopentanol 264.91
    n-heptane 11.98
    ethyl formate 515.91
    1,2-dichloroethane 304.3
    n-hexanol 113.67
    2-methoxyethanol 1476.34
    isobutyl acetate 85.38
    tetrachloromethane 68.53
    n-pentyl acetate 88.43
    transcutol 1170.01
    n-heptanol 66.08
    ethylbenzene 51.72
    MIBK 131.61
    2-propoxyethanol 344.75
    tert-butanol 667.25
    MTBE 266.36
    2-butoxyethanol 194.78
    propionic acid 759.12
    o-xylene 90.04
    formic acid 1632.67
    diethyl ether 314.28
    m-xylene 57.16
    p-xylene 91.35
    chlorobenzene 127.0
    dimethyl carbonate 260.25
    n-octane 7.09
    formamide 2001.7
    cyclopentanone 730.63
    2-pentanone 281.37
    anisole 212.81
    cyclopentyl methyl ether 349.92
    gamma-butyrolactone 1176.78
    1-methoxy-2-propanol 752.87
    pyridine 481.84
    3-pentanone 223.6
    furfural 1091.31
    n-dodecane 9.11
    diethylene glycol 433.25
    diisopropyl ether 58.59
    tert-amyl alcohol 404.44
    acetylacetone 418.34
    n-hexadecane 9.86
    acetophenone 214.22
    methyl propionate 408.79
    isopentyl acetate 68.68
    trichloroethylene 555.74
    n-nonanol 108.68
    cyclohexanol 405.95
    benzyl alcohol 219.89
    2-ethylhexanol 59.54
    isooctanol 51.52
    dipropyl ether 84.62
    1,2-dichlorobenzene 132.38
    ethyl lactate 150.1
    propylene carbonate 484.81
    n-methylformamide 1319.6
    2-pentanol 205.41
    n-pentane 26.22
    1-propoxy-2-propanol 185.39
    1-methoxy-2-propyl acetate 142.47
    2-(2-methoxypropoxy) propanol 278.65
    mesitylene 36.77
    ε-caprolactone 584.52
    p-cymene 27.03
    epichlorohydrin 861.72
    1,1,1-trichloroethane 232.81
    2-aminoethanol 745.46
    morpholine-4-carbaldehyde 1671.03
    sulfolane 930.33
    2,2,4-trimethylpentane 13.0
    2-methyltetrahydrofuran 678.01
    n-hexyl acetate 184.41
    isooctane 6.37
    2-(2-butoxyethoxy)ethanol 385.05
    sec-butyl acetate 93.49
    tert-butyl acetate 162.38
    decalin 20.0
    glycerin 775.76
    diglyme 679.12
    acrylic acid 777.31
    isopropyl myristate 69.39
    n-butyric acid 598.15
    acetyl acetate 296.57
    di(2-ethylhexyl) phthalate 84.46
    ethyl propionate 186.17
    nitromethane 2630.32
    1,2-diethoxyethane 214.2
    benzonitrile 239.91
    trioctyl phosphate 54.35
    1-bromopropane 121.71
    gamma-valerolactone 1415.72
    n-decanol 75.43
    triethyl phosphate 67.43
    4-methyl-2-pentanol 92.88
    propionitrile 391.67
    vinylene carbonate 525.87
    1,1,2-trichlorotrifluoroethane 691.45
    DMS 194.31
    cumene 42.35
    2-octanol 53.57
    2-hexanone 149.3
    octyl acetate 100.12
    limonene 43.81
    1,2-dimethoxyethane 971.57
    ethyl orthosilicate 63.76
    tributyl phosphate 73.76
    diacetone alcohol 280.81
    N,N-dimethylaniline 170.08
    acrylonitrile 562.59
    aniline 278.64
    1,3-propanediol 812.36
    bromobenzene 86.51
    dibromomethane 280.59
    1,1,2,2-tetrachloroethane 420.61
    2-methyl-cyclohexyl acetate 85.94
    tetrabutyl urea 113.99
    diisobutyl methanol 33.78
    2-phenylethanol 114.33
    styrene 64.95
    dioctyl adipate 136.84
    dimethyl sulfate 390.09
    ethyl butyrate 95.7
    methyl lactate 342.54
    butyl lactate 105.22
    diethyl carbonate 86.42
    propanediol butyl ether 270.32
    triethyl orthoformate 83.93
    p-tert-butyltoluene 26.88
    methyl 4-tert-butylbenzoate 176.62
    morpholine 1477.29
    tert-butylamine 345.08
    n-dodecanol 56.57
    dimethoxymethane 813.27
    ethylene carbonate 415.26
    cyrene 284.89
    2-ethoxyethyl acetate 170.5
    2-ethylhexyl acetate 52.19
    1,2,4-trichlorobenzene 175.36
    4-methylpyridine 515.13
    dibutyl ether 114.69
    2,6-dimethyl-4-heptanol 33.78
    DEF 592.64
    dimethyl isosorbide 346.46
    tetrachloroethylene 266.63
    eugenol 181.6
    triacetin 274.39
    span 80 233.96
    1,4-butanediol 281.79
    1,1-dichloroethane 310.63
    2-methyl-1-pentanol 169.62
    methyl formate 1005.28
    2-methyl-1-butanol 269.97
    n-decane 14.71
    butyronitrile 356.51
    3,7-dimethyl-1-octanol 94.08
    1-chlorooctane 50.12
    1-chlorotetradecane 23.85
    n-nonane 13.76
    undecane 11.2
    tert-butylcyclohexane 17.2
    cyclooctane 10.75
    cyclopentanol 513.86
    tetrahydropyran 664.57
    tert-amyl methyl ether 194.0
    2,5,8-trioxanonane 515.23
    1-hexene 68.75
    2-isopropoxyethanol 288.25
    2,2,2-trifluoroethanol 809.06
    methyl butyrate 256.17

    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