Acetoxyacetone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    592-20-1

    Molecular formula
    C5H8O3

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

    Retention indicies (RI)

    • Carbowax: 1467.0

  • Odor profile

    Fruity 90.62%
    Caramellic 66.87%
    Sweet 62.35%
    Ethereal 58.84%
    Buttery 49.97%
    Rummy 45.98%
    Winey 41.87%
    Apple 40.94%
    Nutty 40.9%
    Pungent 40.76%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    8.06 (weak base)

    Molecular weight
    116.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 66.00 °C. @ 12.00 mm Hg

    Flash point est.
    59.72 ˚C

    Solubility expt.

    • slightly

  • Synonyms

    • Acetoxyacetone
    • 2-Oxopropyl acetate
    • 592-20-1
    • Acetonyl acetate
    • Acetol acetate
    • Acetoxypropanone
    • O-Acetylacetol
    • Acetylmethyl acetate
    • 1-Acetoxyacetone
    • Acetoxy-2-propanone
    • 1-Acetoxy-2-propanone
    • 2-Propanone, 1-(acetyloxy)-
    • 1-Hydroxy-2-propanone acetate
    • 2-Propanone, 1-hydroxy-, acetate
    • 1-(Acetyloxy)-2-propanone
    • 1-Acetoxy-propan-2-one
    • 1-Acetyloxy-propan-2-one
    • NSC 2298
    • NSC 7614
    • UNII-CM71768T6Q
    • acetic acid 2-oxo-propyl ester
    • CM71768T6Q
    • NSC-2298
    • NSC-7614
    • EINECS 209-746-3
    • AI3-08537
    • DTXSID3060459
    • ACETIC ACID ACETONYL ESTER
    • 2-Propanone, acetate
    • 2-Propanone, 1-hydroxy-, acetate (8CI)
    • OAcetylacetol
    • 1Acetoxyacetone
    • Essigsaure Aceton
    • 1Acetoxy2propanone
    • 2Oxopropyl acetate
    • 2-Oxopropyl acetic acid
    • 1Hydroxy2propanone acetate
    • 2Propanone, 1(acetyloxy)
    • SCHEMBL36403
    • 2Propanone, 1hydroxy, acetate
    • DTXCID2042565
    • NSC2298
    • NSC7614
    • CHEBI:173422
    • MFCD00042848
    • AKOS005216397
    • 2Propanone, 1hydroxy, acetate (8CI)
    • AS-57244
    • DB-003580
    • A1066
    • Acetoxyacetone, technical, >=98.0% (GC)
    • CS-0204514
    • NS00020100
    • EN300-84044
    • D88372
    • Q27275533
    • ACETIC ACID,(2-OXOPROPYL) ESTER ACETONYLACETATE
    • ACETIC ACID,(2-OXOPROPYL) ESTER ACETONYLACETATE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 353.59
    methanol 744.57
    isopropanol 256.79
    water 392.87
    ethyl acetate 114.39
    n-propanol 199.4
    acetone 286.06
    n-butanol 157.07
    acetonitrile 201.34
    DMF 826.23
    toluene 24.55
    isobutanol 144.39
    1,4-dioxane 197.0
    methyl acetate 224.35
    THF 204.14
    2-butanone 180.08
    n-pentanol 90.49
    sec-butanol 174.9
    n-hexane 9.67
    ethylene glycol 277.98
    NMP 463.95
    cyclohexane 5.01
    DMSO 604.98
    n-butyl acetate 43.63
    n-octanol 57.74
    chloroform 169.76
    n-propyl acetate 55.99
    acetic acid 283.06
    dichloromethane 211.93
    cyclohexanone 136.75
    propylene glycol 268.14
    isopropyl acetate 58.14
    DMAc 828.15
    2-ethoxyethanol 274.68
    isopentanol 118.48
    n-heptane 5.44
    ethyl formate 264.12
    1,2-dichloroethane 113.87
    n-hexanol 67.56
    2-methoxyethanol 667.78
    isobutyl acetate 33.87
    tetrachloromethane 30.16
    n-pentyl acetate 35.42
    transcutol 292.2
    n-heptanol 37.72
    ethylbenzene 24.57
    MIBK 64.41
    2-propoxyethanol 187.61
    tert-butanol 237.24
    MTBE 125.32
    2-butoxyethanol 98.29
    propionic acid 184.51
    o-xylene 32.11
    formic acid 435.92
    diethyl ether 75.95
    m-xylene 22.62
    p-xylene 32.82
    chlorobenzene 38.78
    dimethyl carbonate 85.78
    n-octane 3.68
    formamide 420.03
    cyclopentanone 190.06
    2-pentanone 98.69
    anisole 90.5
    cyclopentyl methyl ether 71.16
    gamma-butyrolactone 263.39
    1-methoxy-2-propanol 356.61
    pyridine 109.23
    3-pentanone 71.44
    furfural 360.0
    n-dodecane 4.64
    diethylene glycol 260.75
    diisopropyl ether 19.17
    tert-amyl alcohol 184.99
    acetylacetone 134.88
    n-hexadecane 4.78
    acetophenone 87.2
    methyl propionate 130.17
    isopentyl acetate 42.73
    trichloroethylene 174.05
    n-nonanol 46.83
    cyclohexanol 82.15
    benzyl alcohol 94.18
    2-ethylhexanol 36.64
    isooctanol 30.02
    dipropyl ether 30.09
    1,2-dichlorobenzene 47.81
    ethyl lactate 74.8
    propylene carbonate 148.68
    n-methylformamide 508.79
    2-pentanol 79.25
    n-pentane 8.48
    1-propoxy-2-propanol 107.02
    1-methoxy-2-propyl acetate 69.11
    2-(2-methoxypropoxy) propanol 125.32
    mesitylene 16.2
    ε-caprolactone 140.57
    p-cymene 17.2
    epichlorohydrin 261.51
    1,1,1-trichloroethane 80.73
    2-aminoethanol 323.52
    morpholine-4-carbaldehyde 467.21
    sulfolane 288.63
    2,2,4-trimethylpentane 6.72
    2-methyltetrahydrofuran 137.11
    n-hexyl acetate 63.57
    isooctane 4.11
    2-(2-butoxyethoxy)ethanol 127.14
    sec-butyl acetate 37.07
    tert-butyl acetate 59.03
    decalin 6.97
    glycerin 410.75
    diglyme 257.77
    acrylic acid 182.67
    isopropyl myristate 26.5
    n-butyric acid 156.41
    acetyl acetate 70.99
    di(2-ethylhexyl) phthalate 39.39
    ethyl propionate 64.06
    nitromethane 539.91
    1,2-diethoxyethane 63.44
    benzonitrile 88.62
    trioctyl phosphate 26.61
    1-bromopropane 62.66
    gamma-valerolactone 357.3
    n-decanol 34.78
    triethyl phosphate 37.5
    4-methyl-2-pentanol 49.1
    propionitrile 129.05
    vinylene carbonate 160.78
    1,1,2-trichlorotrifluoroethane 271.6
    DMS 67.09
    cumene 22.81
    2-octanol 30.85
    2-hexanone 64.4
    octyl acetate 36.53
    limonene 22.6
    1,2-dimethoxyethane 415.19
    ethyl orthosilicate 34.76
    tributyl phosphate 33.19
    diacetone alcohol 129.87
    N,N-dimethylaniline 84.66
    acrylonitrile 189.07
    aniline 75.42
    1,3-propanediol 340.95
    bromobenzene 30.93
    dibromomethane 108.26
    1,1,2,2-tetrachloroethane 153.31
    2-methyl-cyclohexyl acetate 38.56
    tetrabutyl urea 52.03
    diisobutyl methanol 24.87
    2-phenylethanol 59.57
    styrene 27.76
    dioctyl adipate 45.65
    dimethyl sulfate 183.7
    ethyl butyrate 42.49
    methyl lactate 153.35
    butyl lactate 50.41
    diethyl carbonate 39.08
    propanediol butyl ether 133.79
    triethyl orthoformate 36.76
    p-tert-butyltoluene 17.67
    methyl 4-tert-butylbenzoate 83.39
    morpholine 237.82
    tert-butylamine 124.27
    n-dodecanol 26.34
    dimethoxymethane 292.9
    ethylene carbonate 115.71
    cyrene 123.62
    2-ethoxyethyl acetate 59.43
    2-ethylhexyl acetate 30.88
    1,2,4-trichlorobenzene 62.02
    4-methylpyridine 151.38
    dibutyl ether 38.99
    2,6-dimethyl-4-heptanol 24.87
    DEF 202.28
    dimethyl isosorbide 134.35
    tetrachloroethylene 96.1
    eugenol 96.11
    triacetin 82.39
    span 80 73.74
    1,4-butanediol 134.51
    1,1-dichloroethane 107.9
    2-methyl-1-pentanol 77.26
    methyl formate 426.2
    2-methyl-1-butanol 119.47
    n-decane 6.8
    butyronitrile 124.3
    3,7-dimethyl-1-octanol 51.54
    1-chlorooctane 24.67
    1-chlorotetradecane 11.35
    n-nonane 6.6
    undecane 5.45
    tert-butylcyclohexane 8.88
    cyclooctane 2.44
    cyclopentanol 110.2
    tetrahydropyran 89.21
    tert-amyl methyl ether 95.57
    2,5,8-trioxanonane 174.63
    1-hexene 27.87
    2-isopropoxyethanol 138.18
    2,2,2-trifluoroethanol 163.95
    methyl butyrate 100.98

    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

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.93%