2-Acetylbutyrolactone

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  • Identifiers

    CAS number
    517-23-7

    Molecular formula
    C6H8O3

    SMILES
    CC(=O)C1CCOC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 69.96%
    Fruity 68.12%
    Burnt 50.27%
    Sweet 50.25%
    Nutty 37.62%
    Tobacco 33.75%
    Buttery 32.04%
    Coumarinic 29.89%
    Herbal 29.28%
    Spicy 28.63%

     

    Flavor
    Sweet 57.44%
    Caramel 51.85%
    Fruity 44.07%
    Buttery 37.18%
    Fatty 33.14%
    Creamy 29.12%
    Tobacco 26.33%
    Sugar 25.92%
    Maple 25.68%
    Oily 23.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.12 (neutral)

    Molecular weight
    128.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 90.1 ˚C est.

  • Synonyms

    • 2-Acetylbutyrolactone
    • 517-23-7
    • ALPHA-ACETYLBUTYROLACTONE
    • 2(3H)-Furanone, 3-acetyldihydro-
    • 2-Oxo-3-acetyltetrahydrofuran
    • Dihydro-3-acetyl-2(3H)-furanone
    • alpha-Acetobutyrolactone
    • I3D73T5K0Q
    • NSC-2019
    • RefChem:555358
    • 4,5-dihydro-3-acetylfuran-2(3H)-one
    • 208-235-2
    • 3-acetyldihydrofuran-2(3H)-one
    • 3-acetyloxolan-2-one
    • alpha-Acetyl-gamma-butyrolactone
    • 3-Acetyldihydro-2(3H)-furanone
    • 2-Acetylbutanolide
    • 2-Acetyl-gamma-butyrolactone
    • 3-acetyltetrahydrofuran-2-one
    • 3-Acetyltetrahydro-2-furanone
    • MFCD00005394
    • 3-Acetyl-2(3H)-4,5-dihydrofuranone
    • 3-Acetyldihydrofuran-2-one
    • 2-AcetYl-Butyrolactone
    • .alpha.-Acetobutyrolactone
    • 3-Acetyl-dihydro-2(3H)-furanone
    • .alpha.-Acetylbutyrolactone
    • NSC 2019
    • 2-Acetyl-.gamma.-butyrolactone
    • 3-acetyl-4,5-dihydro-2(3H)-furanone
    • 2-Acetylbutyrolactone-13C4
    • DTXSID6044436
    • 3-acetyl dihydrofuran-2(3H)-one
    • .alpha.-Acetyl-.gamma.-butyrolactone
    • .alpha.-(2-Hydroxyethyl)acetoacetic acid .gamma.-lactone
    • 2-Acetyl-4-hydroxybutyric acid .gamma.-lactone
    • 2-Acetylbutyrolactone; 2-Oxo-3-acetyltetrahydrofuran
    • DTXCID4024436
    • .alpha.-Acetyl-.gamma.-hydroxybutyric acid .gamma.-lactone
    • 3-acetyl-2-oxo-3,4,5-trihydrofuran
    • CAS-517-23-7
    • |A-Acetylbutyrolactone
    • 2-acetyl-4-butyrolactone
    • EINECS 208-235-2
    • UNII-I3D73T5K0Q
    • AI3-05827
    • 2-Acetyl-4-hydroxybutyric acid gamma-lactone
    • alpha-Acetyl-gamma-hydroxybutyric acid gamma-lactone
    • alpha-(2-Hydroxyethyl)acetoacetic acid gamma-lactone
    • 2-acetyl butyrolactone
    • alpha-Acetyl-gamma-hydroxybutyric Acid Lactone
    • EC 208-235-2
    • 2-acetyl gammabutyro lactone
    • SCHEMBL26922
    • 3-acetyl-dihydro-furan-2-one
    • orb3030153
    • CHEMBL3187921
    • alpha-acetyl-gamma-butyro lactone
    • dihydro-3-acetyl-(3H)-furanone
    • NSC2019
    • CHEBI:179633
    • alpha-Acetylbutyrolactone, >=99%
    • BB_NC-03242
    • 3-Acetyldihydro-2(3H)-furanone #
    • Tox21_113848
    • Tox21_302029
    • LMFA07040005
    • SBB040834
    • STL135936
    • AKOS000118805
    • AKOS016039401
    • FA17111
    • 3-acetyl-4,5-dihydro-2(3H) furanone
    • s12358
    • .ALPHA.-ACETYLBUTYROLACTONE [MI]
    • NCGC00253729-01
    • NCGC00255829-01
    • AC-11752
    • BS-16949
    • SY001848
    • DB-052012
    • DB-365924
    • A0681
    • CS-0015945
    • NS00003060
    • ST50214415
    • EN300-21307
    • 17A237
    • F462873
    • SR-01000944732
    • alpha-2-Hydroxy-ethylacetoacetic acid, gamma-lactone
    • SR-01000944732-1
    • Q10863668
    • F0001-1347
    • 2-Acetylbutyrolactone;2-Acetyl-gamma-butyrolactone; 3-Acetyloxolane-2-one; ABL
    • 313643-49-1
    • 517-23-7

  • Applications

    2-Acetylbutyrolactone (CAS 517-23-7) is primarily used as an aroma-chemical and fragrance ingredient, contributing fruity-to-nutty notes in perfumery and flavor formulations; it is also employed as an intermediate in organic synthesis for specialty chemicals used in cosmetics and coatings; it may function as a processing aid or solvent in certain industrial formulations; as a lactone-based building block, it is evaluated for use in polymer and plastic material development; and it is sometimes explored as an aroma component in household products such as air fresheners and cleaners. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.12
    methanol 339.54
    isopropanol 155.94
    water 37.71
    ethyl acetate 209.72
    n-propanol 148.35
    acetone 419.58
    n-butanol 115.77
    acetonitrile 442.64
    DMF 761.34
    toluene 57.9
    isobutanol 109.17
    1,4-dioxane 405.98
    methyl acetate 253.5
    THF 513.5
    2-butanone 210.74
    n-pentanol 101.9
    sec-butanol 121.6
    n-hexane 7.23
    ethylene glycol 146.2
    NMP 803.6
    cyclohexane 7.11
    DMSO 639.89
    n-butyl acetate 64.93
    n-octanol 47.03
    chloroform 505.38
    n-propyl acetate 97.81
    acetic acid 793.69
    dichloromethane 537.09
    cyclohexanone 264.51
    propylene glycol 114.58
    isopropyl acetate 107.43
    DMAc 520.51
    2-ethoxyethanol 272.29
    isopentanol 107.44
    n-heptane 4.15
    ethyl formate 173.38
    1,2-dichloroethane 258.77
    n-hexanol 65.32
    2-methoxyethanol 458.78
    isobutyl acetate 60.13
    tetrachloromethane 37.1
    n-pentyl acetate 52.6
    transcutol 645.61
    n-heptanol 32.84
    ethylbenzene 32.96
    MIBK 114.62
    2-propoxyethanol 187.99
    tert-butanol 200.84
    MTBE 101.82
    2-butoxyethanol 92.29
    propionic acid 282.3
    o-xylene 49.4
    formic acid 508.5
    diethyl ether 121.9
    m-xylene 57.13
    p-xylene 52.53
    chlorobenzene 127.79
    dimethyl carbonate 126.4
    n-octane 2.16
    formamide 574.32
    cyclopentanone 421.96
    2-pentanone 172.71
    anisole 131.68
    cyclopentyl methyl ether 176.64
    gamma-butyrolactone 665.32
    1-methoxy-2-propanol 299.03
    pyridine 257.56
    3-pentanone 122.07
    furfural 527.9
    n-dodecane 3.12
    diethylene glycol 231.57
    diisopropyl ether 34.63
    tert-amyl alcohol 140.36
    acetylacetone 290.0
    n-hexadecane 3.56
    acetophenone 143.17
    methyl propionate 192.57
    isopentyl acetate 60.17
    trichloroethylene 532.09
    n-nonanol 42.34
    cyclohexanol 118.61
    benzyl alcohol 120.5
    2-ethylhexanol 36.24
    isooctanol 29.33
    dipropyl ether 40.74
    1,2-dichlorobenzene 129.6
    ethyl lactate 78.8
    propylene carbonate 282.58
    n-methylformamide 434.21
    2-pentanol 84.33
    n-pentane 6.53
    1-propoxy-2-propanol 105.8
    1-methoxy-2-propyl acetate 109.67
    2-(2-methoxypropoxy) propanol 138.29
    mesitylene 35.47
    ε-caprolactone 266.69
    p-cymene 22.44
    epichlorohydrin 525.74
    1,1,1-trichloroethane 200.36
    2-aminoethanol 186.5
    morpholine-4-carbaldehyde 600.97
    sulfolane 609.89
    2,2,4-trimethylpentane 6.22
    2-methyltetrahydrofuran 298.91
    n-hexyl acetate 94.3
    isooctane 4.83
    2-(2-butoxyethoxy)ethanol 176.45
    sec-butyl acetate 68.29
    tert-butyl acetate 116.09
    decalin 8.11
    glycerin 235.69
    diglyme 303.23
    acrylic acid 337.52
    isopropyl myristate 41.15
    n-butyric acid 237.54
    acetyl acetate 184.8
    di(2-ethylhexyl) phthalate 48.16
    ethyl propionate 104.1
    nitromethane 1166.53
    1,2-diethoxyethane 110.14
    benzonitrile 165.52
    trioctyl phosphate 32.37
    1-bromopropane 96.1
    gamma-valerolactone 572.76
    n-decanol 31.24
    triethyl phosphate 45.64
    4-methyl-2-pentanol 58.54
    propionitrile 183.21
    vinylene carbonate 282.19
    1,1,2-trichlorotrifluoroethane 355.24
    DMS 122.4
    cumene 29.7
    2-octanol 26.87
    2-hexanone 107.92
    octyl acetate 50.99
    limonene 30.43
    1,2-dimethoxyethane 306.48
    ethyl orthosilicate 40.25
    tributyl phosphate 44.31
    diacetone alcohol 173.7
    N,N-dimethylaniline 92.19
    acrylonitrile 300.09
    aniline 124.9
    1,3-propanediol 221.27
    bromobenzene 109.46
    dibromomethane 259.48
    1,1,2,2-tetrachloroethane 353.83
    2-methyl-cyclohexyl acetate 62.14
    tetrabutyl urea 62.24
    diisobutyl methanol 27.27
    2-phenylethanol 81.06
    styrene 42.78
    dioctyl adipate 67.27
    dimethyl sulfate 245.92
    ethyl butyrate 61.12
    methyl lactate 142.71
    butyl lactate 57.82
    diethyl carbonate 51.09
    propanediol butyl ether 121.38
    triethyl orthoformate 47.9
    p-tert-butyltoluene 22.75
    methyl 4-tert-butylbenzoate 113.14
    morpholine 432.8
    tert-butylamine 96.92
    n-dodecanol 24.25
    dimethoxymethane 303.21
    ethylene carbonate 204.18
    cyrene 176.08
    2-ethoxyethyl acetate 98.9
    2-ethylhexyl acetate 45.49
    1,2,4-trichlorobenzene 169.08
    4-methylpyridine 258.11
    dibutyl ether 44.72
    2,6-dimethyl-4-heptanol 27.27
    DEF 227.28
    dimethyl isosorbide 223.24
    tetrachloroethylene 190.88
    eugenol 108.7
    triacetin 134.37
    span 80 101.84
    1,4-butanediol 107.39
    1,1-dichloroethane 254.89
    2-methyl-1-pentanol 91.63
    methyl formate 353.0
    2-methyl-1-butanol 96.03
    n-decane 4.58
    butyronitrile 153.7
    3,7-dimethyl-1-octanol 47.8
    1-chlorooctane 24.72
    1-chlorotetradecane 11.63
    n-nonane 3.93
    undecane 3.71
    tert-butylcyclohexane 8.13
    cyclooctane 2.9
    cyclopentanol 171.11
    tetrahydropyran 209.09
    tert-amyl methyl ether 87.46
    2,5,8-trioxanonane 232.5
    1-hexene 29.87
    2-isopropoxyethanol 160.26
    2,2,2-trifluoroethanol 315.7
    methyl butyrate 130.32

    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