2(3H)-Furanone, dihydro-3-(methylthio)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    40587-54-0

    Molecular formula
    C5H8O2S

    SMILES
    CSC1CCOC1=O

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 71.98%
    Meaty 60.21%
    Roasted 59.34%
    Onion 46.76%
    Savory 42.28%
    Nutty 39.21%
    Cooked 36.91%
    Burnt 35.06%
    Vegetable 34.78%
    Alliaceous 33.84%

     

    Flavor
    Nutty 38.24%
    Roasted 34.33%
    Caramel 34.33%
    Fruity 32.02%
    Fatty 31.53%
    Meaty 30.47%
    Vegetable 29.91%
    Onion 29.63%
    Sulfury 29.2%
    Buttery 28.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.13 (neutral)

    Molecular weight
    132.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point

    • 84.02 ˚C est.

  • Synonyms

    • 2(3H)-Furanone, dihydro-3-(methylthio)-
    • 40587-54-0
    • DTXSID60446687
    • RefChem:241634
    • DTXCID00397508
    • 3-(METHYLSULFANYL)OXOLAN-2-ONE
    • (methylthio)dihydrofuranone
    • SCHEMBL10174333
    • 40587-54-0

  • Applications

    2(3H)-Furanone, dihydro-3-(methylthio)- (CAS 40587-54-0) is used primarily as an odorant and fragrance intermediate, and as a flavor precursor in aroma- and taste-active products, contributing sulfur-containing lactone notes in perfumery, cosmetics, and related consumer goods. It may be evaluated for use in cosmetics and personal care formulations as a fragrance ingredient, and in household products such as cleaners and air fresheners where controlled scent profiles are desired. In addition, it serves as a chemical intermediate in organic synthesis, enabling downstream routes to pharmaceuticals, agrochemicals, or other specialty chemicals. Because of its lactone functionality, it is sometimes considered as a building block for specialty polymers, coatings, or inks in niche applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 282.59
    methanol 434.03
    isopropanol 148.63
    water 9.55
    ethyl acetate 219.37
    n-propanol 178.09
    acetone 422.12
    n-butanol 139.01
    acetonitrile 348.41
    DMF 558.83
    toluene 110.44
    isobutanol 117.04
    1,4-dioxane 565.95
    methyl acetate 246.76
    THF 617.6
    2-butanone 236.87
    n-pentanol 128.76
    sec-butanol 117.46
    n-hexane 7.7
    ethylene glycol 127.46
    NMP 664.08
    cyclohexane 18.91
    DMSO 778.42
    n-butyl acetate 157.15
    n-octanol 85.61
    chloroform 868.14
    n-propyl acetate 159.52
    acetic acid 749.95
    dichloromethane 781.35
    cyclohexanone 434.71
    propylene glycol 104.74
    isopropyl acetate 139.13
    DMAc 328.84
    2-ethoxyethanol 313.08
    isopentanol 122.69
    n-heptane 9.06
    ethyl formate 194.59
    1,2-dichloroethane 385.42
    n-hexanol 114.0
    2-methoxyethanol 427.77
    isobutyl acetate 103.38
    tetrachloromethane 101.5
    n-pentyl acetate 137.39
    transcutol 1175.66
    n-heptanol 71.73
    ethylbenzene 54.12
    MIBK 147.01
    2-propoxyethanol 278.77
    tert-butanol 173.76
    MTBE 114.85
    2-butoxyethanol 182.58
    propionic acid 275.08
    o-xylene 76.67
    formic acid 427.05
    diethyl ether 140.9
    m-xylene 87.48
    p-xylene 80.61
    chlorobenzene 266.5
    dimethyl carbonate 100.92
    n-octane 5.07
    formamide 534.29
    cyclopentanone 560.56
    2-pentanone 200.47
    anisole 186.72
    cyclopentyl methyl ether 231.58
    gamma-butyrolactone 731.84
    1-methoxy-2-propanol 289.33
    pyridine 480.85
    3-pentanone 135.56
    furfural 782.88
    n-dodecane 6.46
    diethylene glycol 313.62
    diisopropyl ether 47.22
    tert-amyl alcohol 131.06
    acetylacetone 355.07
    n-hexadecane 7.48
    acetophenone 209.56
    methyl propionate 174.77
    isopentyl acetate 137.77
    trichloroethylene 940.79
    n-nonanol 74.97
    cyclohexanol 171.51
    benzyl alcohol 180.85
    2-ethylhexanol 72.14
    isooctanol 61.87
    dipropyl ether 74.29
    1,2-dichlorobenzene 260.28
    ethyl lactate 102.83
    propylene carbonate 335.79
    n-methylformamide 372.19
    2-pentanol 89.82
    n-pentane 8.72
    1-propoxy-2-propanol 180.87
    1-methoxy-2-propyl acetate 199.07
    2-(2-methoxypropoxy) propanol 203.78
    mesitylene 57.54
    ε-caprolactone 384.64
    p-cymene 47.28
    epichlorohydrin 628.61
    1,1,1-trichloroethane 345.77
    2-aminoethanol 198.31
    morpholine-4-carbaldehyde 677.77
    sulfolane 761.53
    2,2,4-trimethylpentane 8.23
    2-methyltetrahydrofuran 381.4
    n-hexyl acetate 185.61
    isooctane 8.03
    2-(2-butoxyethoxy)ethanol 299.54
    sec-butyl acetate 103.74
    tert-butyl acetate 170.26
    decalin 13.77
    glycerin 199.79
    diglyme 534.7
    acrylic acid 333.72
    isopropyl myristate 73.37
    n-butyric acid 283.17
    acetyl acetate 197.32
    di(2-ethylhexyl) phthalate 85.16
    ethyl propionate 118.23
    nitromethane 1005.27
    1,2-diethoxyethane 242.72
    benzonitrile 280.54
    trioctyl phosphate 58.78
    1-bromopropane 140.64
    gamma-valerolactone 751.88
    n-decanol 54.22
    triethyl phosphate 76.3
    4-methyl-2-pentanol 65.49
    propionitrile 181.53
    vinylene carbonate 369.42
    1,1,2-trichlorotrifluoroethane 468.1
    DMS 176.83
    cumene 45.65
    2-octanol 55.71
    2-hexanone 156.69
    octyl acetate 91.63
    limonene 64.98
    1,2-dimethoxyethane 366.62
    ethyl orthosilicate 70.94
    tributyl phosphate 74.98
    diacetone alcohol 209.3
    N,N-dimethylaniline 127.03
    acrylonitrile 304.05
    aniline 205.91
    1,3-propanediol 219.63
    bromobenzene 254.24
    dibromomethane 420.66
    1,1,2,2-tetrachloroethane 570.25
    2-methyl-cyclohexyl acetate 118.94
    tetrabutyl urea 99.42
    diisobutyl methanol 52.18
    2-phenylethanol 155.79
    styrene 80.33
    dioctyl adipate 116.31
    dimethyl sulfate 206.61
    ethyl butyrate 118.79
    methyl lactate 129.84
    butyl lactate 121.37
    diethyl carbonate 92.7
    propanediol butyl ether 203.81
    triethyl orthoformate 97.26
    p-tert-butyltoluene 45.02
    methyl 4-tert-butylbenzoate 186.89
    morpholine 528.79
    tert-butylamine 97.06
    n-dodecanol 42.09
    dimethoxymethane 288.8
    ethylene carbonate 267.93
    cyrene 236.9
    2-ethoxyethyl acetate 226.89
    2-ethylhexyl acetate 107.2
    1,2,4-trichlorobenzene 322.09
    4-methylpyridine 378.91
    dibutyl ether 85.83
    2,6-dimethyl-4-heptanol 52.18
    DEF 231.96
    dimethyl isosorbide 349.19
    tetrachloroethylene 406.36
    eugenol 191.17
    triacetin 223.04
    span 80 189.76
    1,4-butanediol 116.76
    1,1-dichloroethane 336.45
    2-methyl-1-pentanol 111.58
    methyl formate 300.65
    2-methyl-1-butanol 109.8
    n-decane 10.0
    butyronitrile 172.11
    3,7-dimethyl-1-octanol 81.11
    1-chlorooctane 52.22
    1-chlorotetradecane 22.56
    n-nonane 8.85
    undecane 7.74
    tert-butylcyclohexane 12.74
    cyclooctane 6.54
    cyclopentanol 221.19
    tetrahydropyran 336.37
    tert-amyl methyl ether 95.49
    2,5,8-trioxanonane 383.94
    1-hexene 38.28
    2-isopropoxyethanol 211.06
    2,2,2-trifluoroethanol 269.67
    methyl butyrate 163.17

    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