Methyl (2-furfurylthio)acetate

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  • Identifiers

    CAS number
    108499-33-8

    Molecular formula
    C8H10O3S

    SMILES
    COC(=O)CSCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 74.78%
    Roasted 68.5%
    Coffee 64.35%
    Nutty 59.65%
    Meaty 58.92%
    Savory 46.19%
    Fruity 45.95%
    Onion 45.71%
    Alliaceous 44.89%
    Burnt 41.04%

     

    Flavor
    Sulfury 55.03%
    Roasted 52.42%
    Coffee 50.62%
    Meaty 49.11%
    Fruity 48.7%
    Nutty 40.63%
    Mushroom 38.39%
    Roast 37.11%
    Onion 36.48%
    Vegetable 35.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.33 (weak acid)

    Molecular weight
    186.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 107.78 ˚C est.

  • Synonyms

    • 108499-33-8
    • Methyl (2-furfurylthio)acetate
    • RefChem:811935
    • 681-234-6
    • methyl 2-(furan-2-ylmethylsulfanyl)acetate
    • Methyl 2-((furan-2-ylmethyl)thio)acetate
    • 2-?[(2-?Furanylmethyl)?thio]?-acetic Acid Methyl Ester
    • Methyl(2-furfurylthio)acetate
    • methyl-2-(furfurylthio)acetate
    • SCHEMBL9195510
    • DTXSID80427453
    • methyl (2-furfuryl thio) acetate
    • methyl 2-(2-furylmethylthio)acetate
    • MFCD02283460
    • AKOS009144149
    • methyl 2-(2-furylmethylsulfanyl)acetate
    • Methyl2-((furan-2-ylmethyl)thio)acetate
    • AC-20343
    • DB-049917
    • CS-0440565
    • NS00126687
    • ST50407322
    • Methyl {[(furan-2-yl)methyl]sulfanyl}acetate
    • 2-[(FURAN-2-YLMETHYL)SULFANYL]PROPANOATE
    • 2-[(2-Furanylmethyl)thio]-acetic Acid Methyl Ester
    • 108499-33-8

  • Applications

    Chemical name: Methyl (2-furfurylthio)acetate; CAS number: 108499-33-8. Often used as an intermediate in fragrance chemistry, methyl (2-furfurylthio)acetate can serve as a building block for sulfur-containing aroma compounds and as a precursor in the synthesis of fragrance ingredients; it may also be evaluated for use in flavor chemistry as a flavor/aroma precursor. In cosmetics and personal care, it may function as a fragrance ingredient or scent component within formulations. It can also be evaluated as a specialty intermediate in industrial manufacturing, including methods to introduce furfuryl functionality into polymeric systems or to enable resin/coat chemistries. Additionally, it may find use in coatings and inks as an odorant carrier or fragrance additive, and in some cleaning formulations where a defined scent profile is desired. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.06
    methanol 124.45
    isopropanol 51.32
    water 3.1
    ethyl acetate 80.67
    n-propanol 60.1
    acetone 317.33
    n-butanol 48.86
    acetonitrile 134.12
    DMF 908.26
    toluene 28.87
    isobutanol 49.06
    1,4-dioxane 173.27
    methyl acetate 131.48
    THF 309.01
    2-butanone 187.94
    n-pentanol 47.1
    sec-butanol 55.88
    n-hexane 3.1
    ethylene glycol 87.85
    NMP 912.21
    cyclohexane 4.45
    DMSO 1367.45
    n-butyl acetate 63.86
    n-octanol 29.42
    chloroform 189.02
    n-propyl acetate 73.96
    acetic acid 302.93
    dichloromethane 238.52
    cyclohexanone 230.83
    propylene glycol 90.47
    isopropyl acetate 52.37
    DMAc 809.95
    2-ethoxyethanol 200.93
    isopentanol 50.49
    n-heptane 3.23
    ethyl formate 74.18
    1,2-dichloroethane 160.1
    n-hexanol 35.87
    2-methoxyethanol 266.72
    isobutyl acetate 47.67
    tetrachloromethane 19.23
    n-pentyl acetate 43.43
    transcutol 843.78
    n-heptanol 20.4
    ethylbenzene 22.93
    MIBK 71.18
    2-propoxyethanol 118.5
    tert-butanol 85.8
    MTBE 63.34
    2-butoxyethanol 70.0
    propionic acid 143.25
    o-xylene 34.65
    formic acid 222.65
    diethyl ether 52.57
    m-xylene 30.3
    p-xylene 29.82
    chlorobenzene 72.86
    dimethyl carbonate 97.37
    n-octane 1.22
    formamide 383.2
    cyclopentanone 370.67
    2-pentanone 105.74
    anisole 118.33
    cyclopentyl methyl ether 113.94
    gamma-butyrolactone 404.54
    1-methoxy-2-propanol 188.47
    pyridine 174.68
    3-pentanone 111.58
    furfural 460.02
    n-dodecane 1.48
    diethylene glycol 171.87
    diisopropyl ether 17.14
    tert-amyl alcohol 88.26
    acetylacetone 191.71
    n-hexadecane 1.73
    acetophenone 158.56
    methyl propionate 118.67
    isopentyl acetate 61.1
    trichloroethylene 399.83
    n-nonanol 26.47
    cyclohexanol 63.02
    benzyl alcohol 109.37
    2-ethylhexanol 28.87
    isooctanol 19.73
    dipropyl ether 35.48
    1,2-dichlorobenzene 93.4
    ethyl lactate 72.96
    propylene carbonate 172.86
    n-methylformamide 296.37
    2-pentanol 34.34
    n-pentane 2.41
    1-propoxy-2-propanol 89.23
    1-methoxy-2-propyl acetate 107.12
    2-(2-methoxypropoxy) propanol 156.9
    mesitylene 18.61
    ε-caprolactone 193.77
    p-cymene 20.02
    epichlorohydrin 379.46
    1,1,1-trichloroethane 93.73
    2-aminoethanol 112.31
    morpholine-4-carbaldehyde 571.96
    sulfolane 757.77
    2,2,4-trimethylpentane 3.6
    2-methyltetrahydrofuran 165.43
    n-hexyl acetate 72.5
    isooctane 1.95
    2-(2-butoxyethoxy)ethanol 184.76
    sec-butyl acetate 51.27
    tert-butyl acetate 77.23
    decalin 4.98
    glycerin 211.01
    diglyme 336.47
    acrylic acid 207.21
    isopropyl myristate 28.19
    n-butyric acid 100.66
    acetyl acetate 75.71
    di(2-ethylhexyl) phthalate 44.91
    ethyl propionate 68.06
    nitromethane 651.45
    1,2-diethoxyethane 113.33
    benzonitrile 108.4
    trioctyl phosphate 26.8
    1-bromopropane 47.11
    gamma-valerolactone 481.72
    n-decanol 19.38
    triethyl phosphate 49.66
    4-methyl-2-pentanol 26.33
    propionitrile 73.58
    vinylene carbonate 184.93
    1,1,2-trichlorotrifluoroethane 414.55
    DMS 102.81
    cumene 20.48
    2-octanol 15.56
    2-hexanone 90.02
    octyl acetate 38.03
    limonene 30.76
    1,2-dimethoxyethane 272.62
    ethyl orthosilicate 42.83
    tributyl phosphate 41.0
    diacetone alcohol 134.59
    N,N-dimethylaniline 95.04
    acrylonitrile 143.64
    aniline 91.75
    1,3-propanediol 100.69
    bromobenzene 60.57
    dibromomethane 111.6
    1,1,2,2-tetrachloroethane 275.37
    2-methyl-cyclohexyl acetate 68.11
    tetrabutyl urea 62.75
    diisobutyl methanol 19.61
    2-phenylethanol 68.13
    styrene 31.39
    dioctyl adipate 65.4
    dimethyl sulfate 276.2
    ethyl butyrate 58.61
    methyl lactate 124.69
    butyl lactate 61.69
    diethyl carbonate 49.27
    propanediol butyl ether 123.17
    triethyl orthoformate 51.72
    p-tert-butyltoluene 18.3
    methyl 4-tert-butylbenzoate 102.62
    morpholine 228.19
    tert-butylamine 44.09
    n-dodecanol 14.72
    dimethoxymethane 226.62
    ethylene carbonate 117.6
    cyrene 204.92
    2-ethoxyethyl acetate 95.55
    2-ethylhexyl acetate 50.8
    1,2,4-trichlorobenzene 139.74
    4-methylpyridine 163.06
    dibutyl ether 35.6
    2,6-dimethyl-4-heptanol 19.61
    DEF 209.13
    dimethyl isosorbide 222.48
    tetrachloroethylene 157.83
    eugenol 106.53
    triacetin 141.66
    span 80 103.42
    1,4-butanediol 63.56
    1,1-dichloroethane 101.47
    2-methyl-1-pentanol 53.63
    methyl formate 206.62
    2-methyl-1-butanol 56.5
    n-decane 2.38
    butyronitrile 58.15
    3,7-dimethyl-1-octanol 33.17
    1-chlorooctane 16.02
    1-chlorotetradecane 6.44
    n-nonane 2.07
    undecane 1.82
    tert-butylcyclohexane 4.49
    cyclooctane 1.8
    cyclopentanol 85.49
    tetrahydropyran 98.63
    tert-amyl methyl ether 67.13
    2,5,8-trioxanonane 252.59
    1-hexene 14.32
    2-isopropoxyethanol 120.21
    2,2,2-trifluoroethanol 151.63
    methyl butyrate 95.45

    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