Acetoin Acetate

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  • Identifiers

    CAS number
    4906-24-5

    Molecular formula
    C6H10O3

    SMILES
    CC(C(=O)C)OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.47%
    Caramellic 58.26%
    Sweet 57.34%
    Buttery 55.4%
    Ethereal 46.87%
    Creamy 45.13%
    Apple 39.41%
    Rummy 38.15%
    Dairy 34.68%
    Ketonic 34.64%

     

    Flavor
    Sweet 72.14%
    Creamy 59.69%
    Buttery 53.21%
    Fruity 51.4%
    Butter 48.8%
    Pungent 45.04%
    Caramel 34.1%
    Sharp 34.03%
    Fatty 32.82%
    Ethereal 30.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.58 (neutral)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 74.00 to 75.00 °C. @ 20.00 mm Hg

    Flash point

    • 53.59 ˚C est.

    Solubility expt.

    • very slightly
    • soluble in ethanol

  • Synonyms

    • Acetoin acetate
    • 3-oxobutan-2-yl acetate
    • 4906-24-5
    • 3-Acetoxy-2-butanone
    • 2-Acetoxy-3-butanone
    • 2-Butanone, 3-(acetyloxy)-
    • 3-(Acetyloxy)-2-butanone
    • Acetyl methyl carbinyl acetate
    • FEMA No. 3526
    • 3-Acetyloxy-2-butanone
    • 2-Butanon-3-yl acetate
    • 2-Butanone, 3-hydroxy-, acetate
    • 2-Butanon-3-ol, acetate
    • UNII-2L4E9Q73KY
    • 3-Hydroxy-2-butanone acetate
    • Acetic acid 1-methyl-2-oxopropyl ester
    • 2L4E9Q73KY
    • 3-Oxo-2-butyl acetate
    • 2-Ketobutan-3-yl acetate
    • AI3-28425
    • (+/-)-ACETOIN ACETATE
    • FEMA 3526
    • CH3C(O)OCH(CH3)C(O)CH3
    • ACETOIN ACETATE, (+/-)-
    • 2-ACETOXY-3-BUTANONE [FHFI]
    • Acetoin acetic acid
    • MFCD00051782
    • 3-oxobutan-2-ylacetate
    • SCHEMBL18225
    • 3-Oxobutan-2-yl acetic acid
    • DTXSID60964154
    • CHEBI:173520
    • AKOS006229953
    • CS-W013436
    • AS-57937
    • 2-Acetoxy-3-butanone, natural, 99%, FG
    • H10680
    • Q27254887
    • 610-442-1

  • Applications

    2-Acetoxy-3-butanone (CAS 4906-24-5), also known as acetylacetoin, is a buttery, creamy-smelling flavour molecule that finds broad use in the food industry to build and intensify the taste of ice-cream, caramel, bakery fillings, instant coffee and dairy beverages by adding a rich, warm, lingering note; in fragrance and cosmetic formulations it serves as a mid-note in gourmand perfumes, creams and lipsticks to reproduce sweet, milky facets; within pharmaceutical chemistry 2-Acetoxy-3-butanone is employed as an intermediate for the preparation of pyrazine, hydrazone and other bioactive heterocycles; moreover, owing to the simultaneous presence of a ketone and an acetate ester, the molecule acts as a versatile building block in organic synthesis, particularly in aldol or selective acylation reactions and in the production of specialised monomers for biodegradable resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 689.28
    methanol 1244.4
    isopropanol 607.33
    water 199.48
    ethyl acetate 296.22
    n-propanol 510.88
    acetone 606.24
    n-butanol 408.04
    acetonitrile 585.2
    DMF 1343.88
    toluene 115.74
    isobutanol 395.54
    1,4-dioxane 572.0
    methyl acetate 430.58
    THF 549.94
    2-butanone 419.85
    n-pentanol 246.43
    sec-butanol 484.93
    n-hexane 41.84
    ethylene glycol 369.11
    NMP 909.63
    cyclohexane 23.17
    DMSO 1037.14
    n-butyl acetate 102.5
    n-octanol 117.76
    chloroform 596.4
    n-propyl acetate 123.86
    acetic acid 559.56
    dichloromethane 732.98
    cyclohexanone 384.41
    propylene glycol 354.48
    isopropyl acetate 158.8
    DMAc 1302.18
    2-ethoxyethanol 577.19
    isopentanol 314.61
    n-heptane 14.29
    ethyl formate 384.24
    1,2-dichloroethane 416.78
    n-hexanol 157.94
    2-methoxyethanol 1102.31
    isobutyl acetate 74.73
    tetrachloromethane 98.25
    n-pentyl acetate 85.25
    transcutol 556.38
    n-heptanol 76.19
    ethylbenzene 83.45
    MIBK 165.91
    2-propoxyethanol 359.5
    tert-butanol 640.62
    MTBE 385.87
    2-butoxyethanol 172.48
    propionic acid 396.79
    o-xylene 115.77
    formic acid 582.98
    diethyl ether 270.45
    m-xylene 95.2
    p-xylene 114.67
    chlorobenzene 150.37
    dimethyl carbonate 141.07
    n-octane 9.85
    formamide 605.88
    cyclopentanone 460.1
    2-pentanone 278.69
    anisole 223.32
    cyclopentyl methyl ether 254.78
    gamma-butyrolactone 587.87
    1-methoxy-2-propanol 626.23
    pyridine 286.16
    3-pentanone 209.36
    furfural 657.58
    n-dodecane 10.99
    diethylene glycol 400.32
    diisopropyl ether 71.53
    tert-amyl alcohol 543.73
    acetylacetone 340.91
    n-hexadecane 11.72
    acetophenone 195.11
    methyl propionate 282.55
    isopentyl acetate 96.8
    trichloroethylene 583.51
    n-nonanol 96.57
    cyclohexanol 276.27
    benzyl alcohol 215.7
    2-ethylhexanol 83.38
    isooctanol 63.83
    dipropyl ether 77.12
    1,2-dichlorobenzene 166.48
    ethyl lactate 113.98
    propylene carbonate 298.62
    n-methylformamide 755.83
    2-pentanol 246.92
    n-pentane 35.38
    1-propoxy-2-propanol 188.27
    1-methoxy-2-propyl acetate 136.53
    2-(2-methoxypropoxy) propanol 193.66
    mesitylene 61.9
    ε-caprolactone 351.55
    p-cymene 44.56
    epichlorohydrin 630.36
    1,1,1-trichloroethane 286.38
    2-aminoethanol 520.36
    morpholine-4-carbaldehyde 850.29
    sulfolane 694.63
    2,2,4-trimethylpentane 25.44
    2-methyltetrahydrofuran 408.3
    n-hexyl acetate 154.07
    isooctane 13.17
    2-(2-butoxyethoxy)ethanol 218.92
    sec-butyl acetate 88.59
    tert-butyl acetate 169.86
    decalin 25.3
    glycerin 516.62
    diglyme 412.57
    acrylic acid 345.24
    isopropyl myristate 59.53
    n-butyric acid 346.77
    acetyl acetate 177.65
    di(2-ethylhexyl) phthalate 72.97
    ethyl propionate 137.58
    nitromethane 984.2
    1,2-diethoxyethane 151.43
    benzonitrile 228.4
    trioctyl phosphate 50.11
    1-bromopropane 242.31
    gamma-valerolactone 714.98
    n-decanol 69.15
    triethyl phosphate 71.4
    4-methyl-2-pentanol 128.89
    propionitrile 355.87
    vinylene carbonate 285.71
    1,1,2-trichlorotrifluoroethane 484.43
    DMS 141.4
    cumene 69.52
    2-octanol 68.48
    2-hexanone 152.69
    octyl acetate 78.22
    limonene 59.59
    1,2-dimethoxyethane 750.09
    ethyl orthosilicate 68.01
    tributyl phosphate 62.69
    diacetone alcohol 263.42
    N,N-dimethylaniline 188.12
    acrylonitrile 449.63
    aniline 204.08
    1,3-propanediol 583.2
    bromobenzene 140.01
    dibromomethane 407.25
    1,1,2,2-tetrachloroethane 507.13
    2-methyl-cyclohexyl acetate 82.17
    tetrabutyl urea 92.76
    diisobutyl methanol 52.63
    2-phenylethanol 133.47
    styrene 94.1
    dioctyl adipate 90.58
    dimethyl sulfate 326.41
    ethyl butyrate 92.29
    methyl lactate 224.69
    butyl lactate 86.74
    diethyl carbonate 74.35
    propanediol butyl ether 205.02
    triethyl orthoformate 74.36
    p-tert-butyltoluene 46.84
    methyl 4-tert-butylbenzoate 153.64
    morpholine 624.63
    tert-butylamine 363.31
    n-dodecanol 52.07
    dimethoxymethane 539.05
    ethylene carbonate 229.88
    cyrene 195.61
    2-ethoxyethyl acetate 129.47
    2-ethylhexyl acetate 74.32
    1,2,4-trichlorobenzene 192.58
    4-methylpyridine 406.2
    dibutyl ether 88.96
    2,6-dimethyl-4-heptanol 52.63
    DEF 446.56
    dimethyl isosorbide 248.18
    tetrachloroethylene 307.93
    eugenol 160.95
    triacetin 150.73
    span 80 126.01
    1,4-butanediol 254.47
    1,1-dichloroethane 398.94
    2-methyl-1-pentanol 215.25
    methyl formate 602.86
    2-methyl-1-butanol 343.12
    n-decane 17.21
    butyronitrile 338.59
    3,7-dimethyl-1-octanol 104.42
    1-chlorooctane 63.09
    1-chlorotetradecane 27.98
    n-nonane 17.06
    undecane 13.17
    tert-butylcyclohexane 28.81
    cyclooctane 10.0
    cyclopentanol 342.18
    tetrahydropyran 302.27
    tert-amyl methyl ether 292.22
    2,5,8-trioxanonane 282.75
    1-hexene 110.41
    2-isopropoxyethanol 292.26
    2,2,2-trifluoroethanol 278.66
    methyl butyrate 206.13

    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