((2S)-2-((2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl) butanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4337-04-6

    Molecular formula
    C14H20O8

    SMILES
    CCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)CCC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.32%
    Caramellic 53.93%
    Buttery 43.12%
    Winey 41.88%
    Fatty 38.15%
    Sweet 37.2%
    Creamy 34.03%
    Tropical 28.39%
    Sour 27.76%
    Milky 26.91%

     

    Flavor
    Bitter 38.46%
    Fruity 37.93%
    Odorless 36.54%
    Very mild 30.62%
    Mild 29.16%
    Bland 27.77%
    Sweet-like 23.05%
    Yeast 21.86%
    Toffee 21.42%
    Fatty 21.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    5.37 (weak acid)

    Molecular weight
    316.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    507°C

    Flash point

    • 203.06 ˚C est.

  • Synonyms

    • 4337-04-6
    • DTXSID80715882
    • [(2S)-2-[(2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate
    • ((2S)-2-((2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl) butanoate
    • RefChem:1048849
    • DTXCID80666628
    • L-Ascorbyl 2,6-Dibutyrate
    • 2,6-Di-O-butyryl-L-ascorbic Acid
    • orb2941809
    • SCHEMBL1869725
    • HY-W127734
    • A1205
    • CS-0185929
    • [(2S)-2-[(2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxy-ethyl] butanoate
    • (5R)-5-[(1S)-2-(Butanoyloxy)-1-hydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl butanoate
    • 4337-04-6

  • Applications

    For the compound ((2S)-2-((2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl) butanoate, CAS 4337-04-6, potential applications include: serving as an intermediate in organic synthesis, notably as a chiral building block for pharmaceutical and fine-chemical manufacturing; evaluated as a fragrance or flavor intermediate due to the furanone-like moiety; used as an intermediate or building block in cosmetics/personal care formulations; explored as a functional component or building block in polymer and materials science; and employed as a research reagent or starting material in industrial manufacturing for chemical development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 270.26
    methanol 544.6
    isopropanol 167.25
    water 8.13
    ethyl acetate 169.56
    n-propanol 194.83
    acetone 488.59
    n-butanol 155.74
    acetonitrile 199.39
    DMF 1199.56
    toluene 35.68
    isobutanol 115.49
    1,4-dioxane 209.77
    methyl acetate 235.12
    THF 346.9
    2-butanone 236.81
    n-pentanol 105.38
    sec-butanol 156.76
    n-hexane 2.03
    ethylene glycol 146.23
    NMP 892.88
    cyclohexane 3.88
    DMSO 1961.95
    n-butyl acetate 77.19
    n-octanol 27.94
    chloroform 156.97
    n-propyl acetate 82.4
    acetic acid 900.84
    dichloromethane 238.01
    cyclohexanone 275.72
    propylene glycol 137.17
    isopropyl acetate 91.34
    DMAc 1214.45
    2-ethoxyethanol 313.61
    isopentanol 119.44
    n-heptane 1.16
    ethyl formate 162.16
    1,2-dichloroethane 231.9
    n-hexanol 61.08
    2-methoxyethanol 685.47
    isobutyl acetate 36.91
    tetrachloromethane 19.35
    n-pentyl acetate 55.02
    transcutol 350.62
    n-heptanol 32.74
    ethylbenzene 20.23
    MIBK 82.34
    2-propoxyethanol 183.9
    tert-butanol 203.01
    MTBE 85.27
    2-butoxyethanol 109.1
    propionic acid 261.26
    o-xylene 30.94
    formic acid 768.61
    diethyl ether 75.35
    m-xylene 21.31
    p-xylene 26.98
    chlorobenzene 59.04
    dimethyl carbonate 156.84
    n-octane 1.12
    formamide 1113.24
    cyclopentanone 374.23
    2-pentanone 157.55
    anisole 64.68
    cyclopentyl methyl ether 104.4
    gamma-butyrolactone 513.26
    1-methoxy-2-propanol 332.69
    pyridine 213.45
    3-pentanone 121.43
    furfural 456.43
    n-dodecane 1.2
    diethylene glycol 239.91
    diisopropyl ether 15.27
    tert-amyl alcohol 178.98
    acetylacetone 258.48
    n-hexadecane 1.37
    acetophenone 112.47
    methyl propionate 192.65
    isopentyl acetate 67.2
    trichloroethylene 358.23
    n-nonanol 27.34
    cyclohexanol 120.97
    benzyl alcohol 118.58
    2-ethylhexanol 29.07
    isooctanol 25.65
    dipropyl ether 22.27
    1,2-dichlorobenzene 63.55
    ethyl lactate 85.39
    propylene carbonate 234.15
    n-methylformamide 597.1
    2-pentanol 82.61
    n-pentane 2.54
    1-propoxy-2-propanol 100.02
    1-methoxy-2-propyl acetate 112.11
    2-(2-methoxypropoxy) propanol 108.4
    mesitylene 12.45
    ε-caprolactone 264.23
    p-cymene 13.12
    epichlorohydrin 462.71
    1,1,1-trichloroethane 110.07
    2-aminoethanol 243.52
    morpholine-4-carbaldehyde 602.06
    sulfolane 849.69
    2,2,4-trimethylpentane 2.28
    2-methyltetrahydrofuran 195.79
    n-hexyl acetate 63.86
    isooctane 1.13
    2-(2-butoxyethoxy)ethanol 136.11
    sec-butyl acetate 49.42
    tert-butyl acetate 96.92
    decalin 3.3
    glycerin 283.21
    diglyme 263.04
    acrylic acid 327.6
    isopropyl myristate 22.05
    n-butyric acid 259.09
    acetyl acetate 127.84
    di(2-ethylhexyl) phthalate 41.1
    ethyl propionate 77.85
    nitromethane 1049.56
    1,2-diethoxyethane 73.98
    benzonitrile 96.14
    trioctyl phosphate 27.69
    1-bromopropane 64.39
    gamma-valerolactone 567.99
    n-decanol 19.88
    triethyl phosphate 41.57
    4-methyl-2-pentanol 39.96
    propionitrile 113.56
    vinylene carbonate 227.11
    1,1,2-trichlorotrifluoroethane 505.99
    DMS 103.8
    cumene 14.77
    2-octanol 21.13
    2-hexanone 85.33
    octyl acetate 35.63
    limonene 19.81
    1,2-dimethoxyethane 300.36
    ethyl orthosilicate 35.93
    tributyl phosphate 33.86
    diacetone alcohol 184.55
    N,N-dimethylaniline 57.4
    acrylonitrile 200.95
    aniline 108.64
    1,3-propanediol 327.64
    bromobenzene 48.83
    dibromomethane 125.96
    1,1,2,2-tetrachloroethane 276.8
    2-methyl-cyclohexyl acetate 50.74
    tetrabutyl urea 55.64
    diisobutyl methanol 16.57
    2-phenylethanol 80.06
    styrene 27.02
    dioctyl adipate 44.6
    dimethyl sulfate 352.32
    ethyl butyrate 52.26
    methyl lactate 198.47
    butyl lactate 65.1
    diethyl carbonate 44.17
    propanediol butyl ether 100.05
    triethyl orthoformate 39.96
    p-tert-butyltoluene 12.39
    methyl 4-tert-butylbenzoate 92.14
    morpholine 313.77
    tert-butylamine 66.88
    n-dodecanol 14.79
    dimethoxymethane 375.21
    ethylene carbonate 180.58
    cyrene 172.63
    2-ethoxyethyl acetate 100.41
    2-ethylhexyl acetate 46.9
    1,2,4-trichlorobenzene 93.43
    4-methylpyridine 195.58
    dibutyl ether 21.05
    2,6-dimethyl-4-heptanol 16.57
    DEF 293.59
    dimethyl isosorbide 159.6
    tetrachloroethylene 172.27
    eugenol 91.61
    triacetin 95.1
    span 80 81.89
    1,4-butanediol 134.0
    1,1-dichloroethane 127.2
    2-methyl-1-pentanol 92.41
    methyl formate 413.11
    2-methyl-1-butanol 126.6
    n-decane 1.87
    butyronitrile 91.6
    3,7-dimethyl-1-octanol 27.86
    1-chlorooctane 12.63
    1-chlorotetradecane 5.32
    n-nonane 1.52
    undecane 1.45
    tert-butylcyclohexane 2.23
    cyclooctane 1.52
    cyclopentanol 154.46
    tetrahydropyran 129.27
    tert-amyl methyl ether 81.71
    2,5,8-trioxanonane 188.32
    1-hexene 11.76
    2-isopropoxyethanol 159.82
    2,2,2-trifluoroethanol 398.42
    methyl butyrate 117.56

    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