5-Acetyloxolan-2-one

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  • Identifiers

    CAS number
    29393-32-6

    Molecular formula
    C6H8O3

    SMILES
    CC(=O)C1CCC(=O)O1

  • Odor profile

    Fragrance
    Caramellic 83.52%
    Sweet 73.16%
    Buttery 59.48%
    Nutty 59.2%
    Burnt 54.03%
    Coumarinic 44.59%
    Creamy 44.32%
    Roasted 36.82%
    Hay 35.93%
    Coconut 33.77%

     

    Flavor
    Sweet 82.03%
    Caramel 71.59%
    Buttery 42.26%
    Creamy 38.56%
    Tobacco 38.15%
    Sugar 36.48%
    Maple 36.23%
    Fatty 34.72%
    Fruity 33.64%
    Candy 33.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    7.34 (neutral)

    Molecular weight
    128.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point

    • 95.3 ˚C est.

  • Synonyms

    • 5-acetyloxolan-2-one
    • 29393-32-6
    • 5-Acetyldihydrofuran-2(3H)-one
    • 5-Acetyltetrahydrofuran-2-One
    • SOLERONE
    • 2(3H)-Furanone, 5-acetyldihydro-
    • 5-Acetyldihydro-2(3H)-furanone
    • xi-5-Acetyltetrahydro-2(3H)-furanone
    • 5-Acetyl-gamma-butryolactone
    • EINECS 249-603-2
    • 4-Hydroxy-5-oxohexanoic acid lactone
    • MFCD00276569
    • 4-Hydroxy-5-oxohexanoic acid gamma-lactone
    • AI3-25454
    • Hexanoic acid, 4-hydroxy-5-oxo-, gamma-lactone
    • SCHEMBL274337
    • DTXSID00951927
    • CHEBI:173479
    • EBA39332
    • 4-Hydroxy-5-ketohexanoic acid lactone
    • AKOS006230435
    • Hexanoic acid, 4-hydroxy-5-oxo-, lactone
    • DB-006930
    • CS-0246380
    • NS00049070
    • EN300-323132

  • Applications

    5-Acetyloxolan-2-one (CAS 29393-32-6) is a lactone-derived reagent that primarily serves as an organic synthesis intermediate for the manufacture of pharmaceuticals and agrochemicals. It is also evaluated as a precursor or building block for specialty polymers and polyesters, and may be considered for fragrance industry applications as a fragrance intermediate. Additionally, it can be used in coatings and inks as a reactive building block in resin formulations, with handling and use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 482.32
    methanol 967.37
    isopropanol 325.87
    water 187.3
    ethyl acetate 149.51
    n-propanol 255.37
    acetone 388.13
    n-butanol 203.66
    acetonitrile 522.47
    DMF 891.81
    toluene 69.16
    isobutanol 203.28
    1,4-dioxane 346.61
    methyl acetate 243.58
    THF 301.22
    2-butanone 207.74
    n-pentanol 163.55
    sec-butanol 213.66
    n-hexane 7.4
    ethylene glycol 251.45
    NMP 528.22
    cyclohexane 5.08
    DMSO 806.8
    n-butyl acetate 67.78
    n-octanol 59.36
    chloroform 424.58
    n-propyl acetate 92.45
    acetic acid 638.46
    dichloromethane 546.19
    cyclohexanone 193.51
    propylene glycol 164.43
    isopropyl acetate 84.51
    DMAc 711.33
    2-ethoxyethanol 462.56
    isopentanol 194.82
    n-heptane 4.21
    ethyl formate 241.78
    1,2-dichloroethane 252.9
    n-hexanol 80.8
    2-methoxyethanol 729.69
    isobutyl acetate 54.08
    tetrachloromethane 43.59
    n-pentyl acetate 54.04
    transcutol 678.22
    n-heptanol 42.4
    ethylbenzene 44.75
    MIBK 99.25
    2-propoxyethanol 238.87
    tert-butanol 321.88
    MTBE 164.52
    2-butoxyethanol 126.88
    propionic acid 245.06
    o-xylene 60.1
    formic acid 840.71
    diethyl ether 126.74
    m-xylene 55.03
    p-xylene 67.79
    chlorobenzene 123.39
    dimethyl carbonate 107.46
    n-octane 2.95
    formamide 1014.79
    cyclopentanone 264.43
    2-pentanone 134.89
    anisole 161.97
    cyclopentyl methyl ether 115.76
    gamma-butyrolactone 421.4
    1-methoxy-2-propanol 383.83
    pyridine 249.93
    3-pentanone 92.34
    furfural 539.14
    n-dodecane 3.91
    diethylene glycol 316.55
    diisopropyl ether 32.93
    tert-amyl alcohol 248.73
    acetylacetone 202.56
    n-hexadecane 4.27
    acetophenone 153.15
    methyl propionate 141.75
    isopentyl acetate 68.82
    trichloroethylene 474.73
    n-nonanol 50.69
    cyclohexanol 116.79
    benzyl alcohol 167.0
    2-ethylhexanol 43.62
    isooctanol 37.86
    dipropyl ether 37.53
    1,2-dichlorobenzene 122.75
    ethyl lactate 76.64
    propylene carbonate 199.46
    n-methylformamide 639.46
    2-pentanol 120.35
    n-pentane 7.55
    1-propoxy-2-propanol 115.92
    1-methoxy-2-propyl acetate 98.65
    2-(2-methoxypropoxy) propanol 150.12
    mesitylene 31.27
    ε-caprolactone 195.09
    p-cymene 25.38
    epichlorohydrin 414.11
    1,1,1-trichloroethane 150.61
    2-aminoethanol 333.9
    morpholine-4-carbaldehyde 618.51
    sulfolane 400.86
    2,2,4-trimethylpentane 6.81
    2-methyltetrahydrofuran 202.62
    n-hexyl acetate 93.73
    isooctane 4.75
    2-(2-butoxyethoxy)ethanol 196.52
    sec-butyl acetate 63.88
    tert-butyl acetate 99.82
    decalin 7.83
    glycerin 285.74
    diglyme 370.67
    acrylic acid 281.54
    isopropyl myristate 37.63
    n-butyric acid 225.84
    acetyl acetate 122.88
    di(2-ethylhexyl) phthalate 50.61
    ethyl propionate 84.73
    nitromethane 1022.24
    1,2-diethoxyethane 127.87
    benzonitrile 196.79
    trioctyl phosphate 31.87
    1-bromopropane 107.51
    gamma-valerolactone 465.83
    n-decanol 37.37
    triethyl phosphate 44.62
    4-methyl-2-pentanol 76.16
    propionitrile 223.97
    vinylene carbonate 225.18
    1,1,2-trichlorotrifluoroethane 331.42
    DMS 103.82
    cumene 35.5
    2-octanol 33.23
    2-hexanone 98.05
    octyl acetate 47.95
    limonene 30.42
    1,2-dimethoxyethane 501.61
    ethyl orthosilicate 41.88
    tributyl phosphate 43.74
    diacetone alcohol 167.55
    N,N-dimethylaniline 116.0
    acrylonitrile 354.14
    aniline 146.57
    1,3-propanediol 392.83
    bromobenzene 111.4
    dibromomethane 264.39
    1,1,2,2-tetrachloroethane 292.58
    2-methyl-cyclohexyl acetate 56.91
    tetrabutyl urea 61.45
    diisobutyl methanol 31.13
    2-phenylethanol 97.39
    styrene 62.19
    dioctyl adipate 59.43
    dimethyl sulfate 219.87
    ethyl butyrate 60.74
    methyl lactate 131.17
    butyl lactate 58.67
    diethyl carbonate 52.65
    propanediol butyl ether 148.87
    triethyl orthoformate 48.52
    p-tert-butyltoluene 24.61
    methyl 4-tert-butylbenzoate 106.96
    morpholine 374.78
    tert-butylamine 163.35
    n-dodecanol 28.32
    dimethoxymethane 365.67
    ethylene carbonate 162.96
    cyrene 157.0
    2-ethoxyethyl acetate 99.52
    2-ethylhexyl acetate 49.39
    1,2,4-trichlorobenzene 138.96
    4-methylpyridine 291.04
    dibutyl ether 50.66
    2,6-dimethyl-4-heptanol 31.13
    DEF 231.91
    dimethyl isosorbide 194.89
    tetrachloroethylene 201.56
    eugenol 122.11
    triacetin 114.03
    span 80 92.09
    1,4-butanediol 192.23
    1,1-dichloroethane 223.71
    2-methyl-1-pentanol 146.99
    methyl formate 498.22
    2-methyl-1-butanol 178.83
    n-decane 5.94
    butyronitrile 198.03
    3,7-dimethyl-1-octanol 61.63
    1-chlorooctane 26.92
    1-chlorotetradecane 12.04
    n-nonane 5.17
    undecane 4.65
    tert-butylcyclohexane 8.31
    cyclooctane 2.63
    cyclopentanol 154.88
    tetrahydropyran 139.56
    tert-amyl methyl ether 116.14
    2,5,8-trioxanonane 257.87
    1-hexene 35.42
    2-isopropoxyethanol 252.16
    2,2,2-trifluoroethanol 296.56
    methyl butyrate 126.51

    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