Furfuryl thioacetate

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  • Identifiers

    CAS number
    13678-68-7

    Molecular formula
    C7H8O2S

    SMILES
    CC(=O)SCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 85.9%
    Coffee 74.89%
    Roasted 72.42%
    Meaty 71.69%
    Burnt 56.73%
    Onion 55.75%
    Garlic 55.28%
    Alliaceous 54.21%
    Savory 51.9%
    Nutty 48.27%

     

    Flavor
    Sulfury 70.3%
    Roasted 65.22%
    Coffee 64.41%
    Meaty 56.09%
    Onion 54.64%
    Roast 54.5%
    Nutty 53.59%
    Burnt 45.48%
    Cooked 44.47%
    Sulfur 39.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.81 (neutral)

    Molecular weight
    156.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 90.00 to 92.00 °C. @ 12.00 mm Hg

    Flash point

    • 85.31 ˚C est.

    Solubility expt.

    • Insoluble in water,soluble in organic solvents, fats
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Furfuryl thioacetate
    • S-Furfuryl thioacetate
    • 13678-68-7
    • Furfurylthiol acetate
    • Ethanethioic acid, S-(2-furanylmethyl) ester
    • S-Furfuryl ethanethioate
    • S-(furan-2-ylmethyl) ethanethioate
    • FEMA No. 3162
    • Acetic acid, thio-, S-furfuryl ester
    • S-(2-Furanylmethyl) ethanethioate
    • EINECS 237-173-9
    • DTXSID5047661
    • UNII-04ZX16701F
    • Ethanethioic Acid S-(2-Furanylmethyl) Ester
    • 04ZX16701F
    • FURFURYL THIOL ACETATE
    • DTXCID3027661
    • FEMA 3162
    • S-(2-Furylmethyl) ethanethioate
    • FURFURYL THIOACETATE [FHFI]
    • S-(2-Furanylmethyl)ethanethioate, 9CI
    • 1-[(furan-2-ylmethyl)sulfanyl]ethan-1-one
    • 2-Furfurylthiol Acetate
    • 2-Furfurylthioacetate-d2
    • 1-((furan-2-ylmethyl)sulfanyl)ethan-1-one
    • 1-(((furan-2-yl)methyl)sulphanyl)ethan-1-one
    • 1-{[(furan-2-yl)methyl]sulphanyl}ethan-1-one
    • Furfurylthioacetat
    • Thioacetic Acid S-Furfuryl Ester
    • MFCD00010083
    • Furfuryl thioacetic acid
    • S-Furfuryl thioacetate, 99%
    • SCHEMBL526409
    • CHEMBL3188298
    • S- FURFURYL ETHANETHIOATE
    • CHEBI:173665
    • S-(uran-2-ylmethyl) ethanethioate
    • Furfuryl thioacetate, >=98%, FG
    • S-(2-Furylmethyl) ethanethioate #
    • Tox21_302486
    • AKOS015965010
    • NCGC00256834-01
    • AS-66119
    • CAS-13678-68-7
    • NS00021623
    • T1283
    • 1-{[(furan-2-yl)methyl]sulfanyl}ethan-1-one
    • Q11317876

  • Applications

    Furfuryl thioacetate, noted for its warm caramel-coffee, sulfur-nuanced aroma, is primarily employed as a flavor ingredient in instant coffee, confectionery, baked goods, cocoa beverages, barbecue sauces, wine and tobacco products; in addition, its furan-thioacetate framework makes it a valuable precursor for pharmaceutical derivatives, an organic intermediate for thioether incorporation, an odor marker in sensory studies, and a functional monomer in UV-curable polymer systems, thereby broadening material performance and enhancing sensory experiences.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 703.41
    methanol 1153.07
    isopropanol 533.35
    water 89.93
    ethyl acetate 460.38
    n-propanol 427.84
    acetone 802.15
    n-butanol 360.34
    acetonitrile 840.6
    DMF 1336.22
    toluene 303.54
    isobutanol 333.09
    1,4-dioxane 1205.72
    methyl acetate 733.42
    THF 687.11
    2-butanone 632.56
    n-pentanol 258.68
    sec-butanol 390.48
    n-hexane 15.69
    ethylene glycol 422.94
    NMP 759.05
    cyclohexane 52.35
    DMSO 1165.08
    n-butyl acetate 148.52
    n-octanol 175.32
    chloroform 863.05
    n-propyl acetate 223.31
    acetic acid 499.18
    dichloromethane 945.12
    cyclohexanone 565.65
    propylene glycol 360.16
    isopropyl acetate 208.05
    DMAc 1624.71
    2-ethoxyethanol 658.28
    isopentanol 266.11
    n-heptane 23.85
    ethyl formate 456.65
    1,2-dichloroethane 425.72
    n-hexanol 190.18
    2-methoxyethanol 1011.91
    isobutyl acetate 122.86
    tetrachloromethane 110.25
    n-pentyl acetate 117.73
    transcutol 1017.24
    n-heptanol 115.29
    ethylbenzene 160.87
    MIBK 197.94
    2-propoxyethanol 443.28
    tert-butanol 488.11
    MTBE 310.33
    2-butoxyethanol 257.17
    propionic acid 390.59
    o-xylene 239.08
    formic acid 370.06
    diethyl ether 323.14
    m-xylene 179.44
    p-xylene 222.61
    chlorobenzene 294.96
    dimethyl carbonate 285.93
    n-octane 13.72
    formamide 683.35
    cyclopentanone 521.31
    2-pentanone 369.34
    anisole 472.53
    cyclopentyl methyl ether 323.67
    gamma-butyrolactone 577.15
    1-methoxy-2-propanol 641.12
    pyridine 738.66
    3-pentanone 343.87
    furfural 777.33
    n-dodecane 18.13
    diethylene glycol 519.63
    diisopropyl ether 74.45
    tert-amyl alcohol 384.32
    acetylacetone 448.2
    n-hexadecane 19.99
    acetophenone 409.69
    methyl propionate 456.28
    isopentyl acetate 133.83
    trichloroethylene 807.04
    n-nonanol 155.66
    cyclohexanol 370.67
    benzyl alcohol 411.87
    2-ethylhexanol 124.49
    isooctanol 97.86
    dipropyl ether 135.4
    1,2-dichlorobenzene 259.02
    ethyl lactate 161.25
    propylene carbonate 314.5
    n-methylformamide 776.47
    2-pentanol 215.07
    n-pentane 20.85
    1-propoxy-2-propanol 276.62
    1-methoxy-2-propyl acetate 220.94
    2-(2-methoxypropoxy) propanol 294.95
    mesitylene 97.78
    ε-caprolactone 444.77
    p-cymene 85.62
    epichlorohydrin 697.66
    1,1,1-trichloroethane 384.61
    2-aminoethanol 531.76
    morpholine-4-carbaldehyde 1258.25
    sulfolane 541.49
    2,2,4-trimethylpentane 18.24
    2-methyltetrahydrofuran 491.36
    n-hexyl acetate 191.91
    isooctane 10.0
    2-(2-butoxyethoxy)ethanol 374.83
    sec-butyl acetate 139.31
    tert-butyl acetate 176.24
    decalin 34.19
    glycerin 484.64
    diglyme 736.4
    acrylic acid 386.07
    isopropyl myristate 92.1
    n-butyric acid 333.07
    acetyl acetate 274.16
    di(2-ethylhexyl) phthalate 98.22
    ethyl propionate 225.41
    nitromethane 1024.03
    1,2-diethoxyethane 325.67
    benzonitrile 430.19
    trioctyl phosphate 69.29
    1-bromopropane 221.69
    gamma-valerolactone 898.0
    n-decanol 120.12
    triethyl phosphate 98.59
    4-methyl-2-pentanol 118.83
    propionitrile 480.27
    vinylene carbonate 390.42
    1,1,2-trichlorotrifluoroethane 554.03
    DMS 233.38
    cumene 104.55
    2-octanol 93.27
    2-hexanone 250.57
    octyl acetate 122.98
    limonene 115.42
    1,2-dimethoxyethane 1011.65
    ethyl orthosilicate 96.56
    tributyl phosphate 83.16
    diacetone alcohol 283.4
    N,N-dimethylaniline 330.31
    acrylonitrile 661.83
    aniline 424.03
    1,3-propanediol 565.7
    bromobenzene 279.02
    dibromomethane 481.3
    1,1,2,2-tetrachloroethane 609.07
    2-methyl-cyclohexyl acetate 139.01
    tetrabutyl urea 141.52
    diisobutyl methanol 78.22
    2-phenylethanol 255.29
    styrene 217.13
    dioctyl adipate 140.91
    dimethyl sulfate 386.88
    ethyl butyrate 152.73
    methyl lactate 271.87
    butyl lactate 124.72
    diethyl carbonate 125.97
    propanediol butyl ether 291.83
    triethyl orthoformate 120.54
    p-tert-butyltoluene 76.93
    methyl 4-tert-butylbenzoate 209.39
    morpholine 1128.15
    tert-butylamine 280.34
    n-dodecanol 95.63
    dimethoxymethane 712.87
    ethylene carbonate 309.51
    cyrene 294.38
    2-ethoxyethyl acetate 209.41
    2-ethylhexyl acetate 110.63
    1,2,4-trichlorobenzene 329.73
    4-methylpyridine 764.72
    dibutyl ether 148.14
    2,6-dimethyl-4-heptanol 78.22
    DEF 600.86
    dimethyl isosorbide 364.77
    tetrachloroethylene 384.74
    eugenol 235.72
    triacetin 250.65
    span 80 210.08
    1,4-butanediol 305.46
    1,1-dichloroethane 491.44
    2-methyl-1-pentanol 216.78
    methyl formate 592.31
    2-methyl-1-butanol 278.26
    n-decane 26.05
    butyronitrile 399.7
    3,7-dimethyl-1-octanol 157.29
    1-chlorooctane 90.56
    1-chlorotetradecane 44.69
    n-nonane 23.34
    undecane 20.97
    tert-butylcyclohexane 27.5
    cyclooctane 18.96
    cyclopentanol 344.42
    tetrahydropyran 598.45
    tert-amyl methyl ether 248.98
    2,5,8-trioxanonane 564.19
    1-hexene 73.04
    2-isopropoxyethanol 393.89
    2,2,2-trifluoroethanol 263.64
    methyl butyrate 318.18

    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