1-Acetoxy-2-butanone

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  • Identifiers

    CAS number
    1575-57-1

    Molecular formula
    C6H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.57%
    Caramellic 63.14%
    Ethereal 51.67%
    Buttery 50.78%
    Sweet 49.17%
    Nutty 42.31%
    Winey 40.47%
    Creamy 38.23%
    Rummy 37.17%
    Apple 34.12%

     

    Flavor
    Fruity 80.51%
    Sweet 66.29%
    Creamy 40.4%
    Buttery 39.33%
    Butter 37.34%
    Green 35.81%
    Ethereal 34.92%
    Pungent 34.18%
    Fatty 32.2%
    Sharp 32.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.11 (weak base)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point

    • 65.92 ˚C est.

  • Synonyms

    • 2-Oxobutyl acetate
    • 1-Acetoxy-2-butanone
    • 1575-57-1
    • 1-Hydroxy-2-butanone acetate
    • 2-Butanone, 1-(acetyloxy)-
    • 2-BUTANONE, 1-HYDROXY-, ACETATE
    • 1-(Acetyloxy)-2-butanone
    • NSC 84222
    • BRN 1755049
    • 9ZR62CUM43
    • NSC-84222
    • acetic acid 2-oxobutyl ester
    • DTXSID00166271
    • 4-02-00-00297 (Beilstein Handbook Reference)
    • MFCD00027021
    • 1-Acetoxy-butan-2-one
    • UNII-9ZR62CUM43
    • SCHEMBL713608
    • DTXCID9088762
    • ALBB-031528
    • NSC84222
    • 2-Butanone, 1-(acetyloxy)-(9CI)
    • AKOS024429073
    • LS-11419
    • CS-0359350
    • NS00025123
    • 605-102-4

  • Applications

    1-Acetoxy-2-butanone (CAS 1575-57-1) is primarily used as an intermediate in organic synthesis. It may serve as a precursor to fragrance ingredients and specialty esters used in perfumery and flavor applications. It can function as a solvent or processing aid in chemical manufacturing. It provides a building block for derivatized esters and can support polymer and plastic chemistry, with potential use in coatings, inks, and adhesives as a reactive intermediate. It may also be evaluated as a starting material in pharmaceutical synthesis. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 575.6
    methanol 960.59
    isopropanol 465.61
    water 85.41
    ethyl acetate 141.93
    n-propanol 325.16
    acetone 377.64
    n-butanol 277.34
    acetonitrile 394.95
    DMF 736.1
    toluene 75.87
    isobutanol 246.74
    1,4-dioxane 497.19
    methyl acetate 289.85
    THF 364.05
    2-butanone 228.12
    n-pentanol 174.36
    sec-butanol 315.11
    n-hexane 15.02
    ethylene glycol 211.29
    NMP 547.92
    cyclohexane 25.01
    DMSO 644.78
    n-butyl acetate 62.72
    n-octanol 88.21
    chloroform 410.9
    n-propyl acetate 68.22
    acetic acid 509.87
    dichloromethane 485.87
    cyclohexanone 275.45
    propylene glycol 205.1
    isopropyl acetate 69.27
    DMAc 790.41
    2-ethoxyethanol 308.77
    isopentanol 204.03
    n-heptane 8.09
    ethyl formate 279.76
    1,2-dichloroethane 223.97
    n-hexanol 105.14
    2-methoxyethanol 620.74
    isobutyl acetate 42.52
    tetrachloromethane 53.43
    n-pentyl acetate 56.43
    transcutol 386.59
    n-heptanol 60.78
    ethylbenzene 63.42
    MIBK 72.08
    2-propoxyethanol 189.47
    tert-butanol 446.35
    MTBE 168.26
    2-butoxyethanol 125.43
    propionic acid 281.04
    o-xylene 83.54
    formic acid 411.83
    diethyl ether 119.85
    m-xylene 49.93
    p-xylene 97.43
    chlorobenzene 116.69
    dimethyl carbonate 70.58
    n-octane 6.12
    formamide 546.79
    cyclopentanone 287.64
    2-pentanone 117.17
    anisole 153.2
    cyclopentyl methyl ether 111.24
    gamma-butyrolactone 393.15
    1-methoxy-2-propanol 319.31
    pyridine 339.68
    3-pentanone 93.62
    furfural 490.47
    n-dodecane 7.76
    diethylene glycol 203.12
    diisopropyl ether 25.87
    tert-amyl alcohol 318.82
    acetylacetone 151.32
    n-hexadecane 8.33
    acetophenone 142.59
    methyl propionate 134.89
    isopentyl acetate 65.33
    trichloroethylene 395.59
    n-nonanol 73.81
    cyclohexanol 210.02
    benzyl alcohol 179.57
    2-ethylhexanol 61.02
    isooctanol 49.98
    dipropyl ether 41.67
    1,2-dichlorobenzene 112.47
    ethyl lactate 69.62
    propylene carbonate 200.82
    n-methylformamide 483.81
    2-pentanol 136.46
    n-pentane 15.23
    1-propoxy-2-propanol 114.83
    1-methoxy-2-propyl acetate 70.45
    2-(2-methoxypropoxy) propanol 154.65
    mesitylene 31.29
    ε-caprolactone 241.64
    p-cymene 34.25
    epichlorohydrin 369.44
    1,1,1-trichloroethane 172.95
    2-aminoethanol 311.26
    morpholine-4-carbaldehyde 558.29
    sulfolane 411.73
    2,2,4-trimethylpentane 11.28
    2-methyltetrahydrofuran 245.23
    n-hexyl acetate 98.37
    isooctane 5.6
    2-(2-butoxyethoxy)ethanol 170.9
    sec-butyl acetate 45.36
    tert-butyl acetate 73.48
    decalin 15.72
    glycerin 278.8
    diglyme 317.19
    acrylic acid 269.68
    isopropyl myristate 41.3
    n-butyric acid 260.25
    acetyl acetate 99.86
    di(2-ethylhexyl) phthalate 59.06
    ethyl propionate 71.37
    nitromethane 694.44
    1,2-diethoxyethane 101.9
    benzonitrile 195.9
    trioctyl phosphate 38.39
    1-bromopropane 124.09
    gamma-valerolactone 487.61
    n-decanol 55.38
    triethyl phosphate 50.99
    4-methyl-2-pentanol 70.18
    propionitrile 220.19
    vinylene carbonate 231.02
    1,1,2-trichlorotrifluoroethane 339.22
    DMS 85.57
    cumene 49.1
    2-octanol 51.15
    2-hexanone 90.63
    octyl acetate 57.65
    limonene 46.14
    1,2-dimethoxyethane 469.92
    ethyl orthosilicate 46.18
    tributyl phosphate 48.06
    diacetone alcohol 141.53
    N,N-dimethylaniline 130.42
    acrylonitrile 324.19
    aniline 165.62
    1,3-propanediol 378.02
    bromobenzene 99.93
    dibromomethane 262.2
    1,1,2,2-tetrachloroethane 320.18
    2-methyl-cyclohexyl acetate 65.27
    tetrabutyl urea 72.74
    diisobutyl methanol 37.11
    2-phenylethanol 104.46
    styrene 78.82
    dioctyl adipate 75.2
    dimethyl sulfate 144.44
    ethyl butyrate 62.37
    methyl lactate 117.58
    butyl lactate 63.66
    diethyl carbonate 58.36
    propanediol butyl ether 142.11
    triethyl orthoformate 51.62
    p-tert-butyltoluene 32.1
    methyl 4-tert-butylbenzoate 118.13
    morpholine 520.7
    tert-butylamine 241.65
    n-dodecanol 42.52
    dimethoxymethane 251.53
    ethylene carbonate 170.73
    cyrene 144.95
    2-ethoxyethyl acetate 88.71
    2-ethylhexyl acetate 48.84
    1,2,4-trichlorobenzene 145.38
    4-methylpyridine 337.8
    dibutyl ether 63.84
    2,6-dimethyl-4-heptanol 37.11
    DEF 230.78
    dimethyl isosorbide 182.43
    tetrachloroethylene 187.88
    eugenol 132.37
    triacetin 117.45
    span 80 117.63
    1,4-butanediol 164.14
    1,1-dichloroethane 234.15
    2-methyl-1-pentanol 147.36
    methyl formate 374.67
    2-methyl-1-butanol 203.94
    n-decane 11.17
    butyronitrile 224.24
    3,7-dimethyl-1-octanol 81.46
    1-chlorooctane 38.96
    1-chlorotetradecane 19.15
    n-nonane 10.46
    undecane 8.99
    tert-butylcyclohexane 14.71
    cyclooctane 6.82
    cyclopentanol 244.13
    tetrahydropyran 260.98
    tert-amyl methyl ether 125.55
    2,5,8-trioxanonane 251.92
    1-hexene 57.45
    2-isopropoxyethanol 161.62
    2,2,2-trifluoroethanol 200.26
    methyl butyrate 121.89

    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