4-Ethyl-3-hydroxy-4-methyloxolan-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    57606-04-9

    Molecular formula
    C7H12O3

    SMILES
    CCC1(COC(=O)C1O)C

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 64.41%
    Sweet 57.84%
    Burnt 39.23%
    Buttery 29.77%
    Roasted 27.16%
    Creamy 27.11%
    Nutty 26.26%
    Lactonic 25.17%
    Mint 25.13%
    Milky 24.56%

     

    Flavor
    Sweet 68.54%
    Caramel 51.34%
    Tobacco 33.89%
    Fruity 33.59%
    Maple 30.02%
    Herbal 28.6%
    Coconut 28.49%
    Tonka 27.98%
    Coumarin 27.77%
    Sugar 27.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.58 (neutral)

    Molecular weight
    144.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 110.18 ˚C est.

  • Synonyms

    • 4-ethyl-3-hydroxy-4-methyloxolan-2-one
    • SCHEMBL29022227
    • UDNSVMRLHHBYOK-UHFFFAOYSA-N
    • DTXSID501019855
    • 57606-04-9
    • 2(3H)-Furanone, 4-ethyldihydro-3-hydroxy-4-methyl-
    • 57606-04-9

  • Applications

    4-Ethyl-3-hydroxy-4-methyloxolan-2-one (CAS 57606-04-9) is primarily used as an intermediate in organic synthesis, notably as a chiral building block for pharmaceutical development. In perfumery and cosmetics, it may be evaluated as an odorant or fragrance precursor due to its lactone-derived notes. It can serve as a specialized monomer or functionalized intermediate in polymers and plastics, enabling modified polyester-like materials. In coatings and inks, it may function as a niche additive or reactive intermediate to impart specific properties. In industrial manufacturing, it is handled as a specialty intermediate for the synthesis of more complex molecules, with use governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 821.26
    methanol 1096.32
    isopropanol 459.25
    water 178.55
    ethyl acetate 583.68
    n-propanol 393.72
    acetone 408.98
    n-butanol 320.5
    acetonitrile 306.2
    DMF 542.49
    toluene 37.4
    isobutanol 227.36
    1,4-dioxane 740.42
    methyl acetate 397.38
    THF 504.2
    2-butanone 245.88
    n-pentanol 154.69
    sec-butanol 287.88
    n-hexane 2.91
    ethylene glycol 484.24
    NMP 189.12
    cyclohexane 8.1
    DMSO 580.75
    n-butyl acetate 121.09
    n-octanol 105.48
    chloroform 331.51
    n-propyl acetate 139.08
    acetic acid 929.1
    dichloromethane 289.85
    cyclohexanone 180.13
    propylene glycol 338.08
    isopropyl acetate 264.63
    DMAc 326.0
    2-ethoxyethanol 647.06
    isopentanol 252.9
    n-heptane 4.36
    ethyl formate 334.23
    1,2-dichloroethane 186.32
    n-hexanol 172.3
    2-methoxyethanol 1433.58
    isobutyl acetate 72.33
    tetrachloromethane 65.3
    n-pentyl acetate 90.21
    transcutol 1218.8
    n-heptanol 109.77
    ethylbenzene 29.21
    MIBK 165.28
    2-propoxyethanol 465.99
    tert-butanol 561.37
    MTBE 220.36
    2-butoxyethanol 289.26
    propionic acid 383.39
    o-xylene 45.23
    formic acid 1304.59
    diethyl ether 225.99
    m-xylene 46.09
    p-xylene 47.34
    chlorobenzene 77.67
    dimethyl carbonate 151.26
    n-octane 3.87
    formamide 1622.38
    cyclopentanone 227.94
    2-pentanone 245.68
    anisole 127.09
    cyclopentyl methyl ether 143.99
    gamma-butyrolactone 374.17
    1-methoxy-2-propanol 769.15
    pyridine 201.42
    3-pentanone 128.45
    furfural 376.83
    n-dodecane 4.61
    diethylene glycol 616.7
    diisopropyl ether 59.61
    tert-amyl alcohol 358.93
    acetylacetone 391.64
    n-hexadecane 5.06
    acetophenone 124.34
    methyl propionate 298.26
    isopentyl acetate 124.96
    trichloroethylene 390.2
    n-nonanol 92.3
    cyclohexanol 142.05
    benzyl alcohol 132.12
    2-ethylhexanol 81.83
    isooctanol 90.5
    dipropyl ether 52.54
    1,2-dichlorobenzene 91.5
    ethyl lactate 118.71
    propylene carbonate 218.99
    n-methylformamide 563.76
    2-pentanol 211.05
    n-pentane 5.51
    1-propoxy-2-propanol 249.67
    1-methoxy-2-propyl acetate 203.62
    2-(2-methoxypropoxy) propanol 234.19
    mesitylene 36.1
    ε-caprolactone 229.71
    p-cymene 31.69
    epichlorohydrin 450.91
    1,1,1-trichloroethane 173.39
    2-aminoethanol 670.59
    morpholine-4-carbaldehyde 543.87
    sulfolane 326.03
    2,2,4-trimethylpentane 7.09
    2-methyltetrahydrofuran 258.83
    n-hexyl acetate 139.1
    isooctane 7.03
    2-(2-butoxyethoxy)ethanol 381.97
    sec-butyl acetate 105.77
    tert-butyl acetate 252.84
    decalin 6.3
    glycerin 584.48
    diglyme 608.06
    acrylic acid 351.0
    isopropyl myristate 53.13
    n-butyric acid 493.42
    acetyl acetate 298.76
    di(2-ethylhexyl) phthalate 61.99
    ethyl propionate 138.0
    nitromethane 1278.57
    1,2-diethoxyethane 214.23
    benzonitrile 111.31
    trioctyl phosphate 46.22
    1-bromopropane 61.81
    gamma-valerolactone 471.58
    n-decanol 66.74
    triethyl phosphate 51.03
    4-methyl-2-pentanol 125.64
    propionitrile 152.43
    vinylene carbonate 226.39
    1,1,2-trichlorotrifluoroethane 423.21
    DMS 133.75
    cumene 29.8
    2-octanol 71.4
    2-hexanone 96.69
    octyl acetate 71.53
    limonene 39.46
    1,2-dimethoxyethane 526.9
    ethyl orthosilicate 49.59
    tributyl phosphate 48.85
    diacetone alcohol 401.98
    N,N-dimethylaniline 80.67
    acrylonitrile 237.67
    aniline 127.4
    1,3-propanediol 925.71
    bromobenzene 63.54
    dibromomethane 149.44
    1,1,2,2-tetrachloroethane 297.25
    2-methyl-cyclohexyl acetate 76.89
    tetrabutyl urea 62.53
    diisobutyl methanol 59.8
    2-phenylethanol 157.01
    styrene 32.05
    dioctyl adipate 72.08
    dimethyl sulfate 215.55
    ethyl butyrate 95.42
    methyl lactate 224.64
    butyl lactate 97.81
    diethyl carbonate 69.33
    propanediol butyl ether 269.75
    triethyl orthoformate 68.29
    p-tert-butyltoluene 34.4
    methyl 4-tert-butylbenzoate 149.24
    morpholine 700.1
    tert-butylamine 218.77
    n-dodecanol 48.84
    dimethoxymethane 470.54
    ethylene carbonate 189.08
    cyrene 170.56
    2-ethoxyethyl acetate 179.82
    2-ethylhexyl acetate 76.4
    1,2,4-trichlorobenzene 111.29
    4-methylpyridine 152.48
    dibutyl ether 56.6
    2,6-dimethyl-4-heptanol 59.8
    DEF 254.05
    dimethyl isosorbide 277.21
    tetrachloroethylene 237.99
    eugenol 169.05
    triacetin 137.74
    span 80 165.42
    1,4-butanediol 268.96
    1,1-dichloroethane 181.56
    2-methyl-1-pentanol 136.25
    methyl formate 480.7
    2-methyl-1-butanol 204.84
    n-decane 6.83
    butyronitrile 152.36
    3,7-dimethyl-1-octanol 109.12
    1-chlorooctane 33.39
    1-chlorotetradecane 14.99
    n-nonane 5.67
    undecane 5.53
    tert-butylcyclohexane 6.74
    cyclooctane 3.96
    cyclopentanol 165.72
    tetrahydropyran 233.33
    tert-amyl methyl ether 142.42
    2,5,8-trioxanonane 400.37
    1-hexene 13.56
    2-isopropoxyethanol 335.98
    2,2,2-trifluoroethanol 526.77
    methyl butyrate 164.21

    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