O-Ethyl S-(2-furylmethyl)thiocarbonate

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  • Identifiers

    CAS number
    376595-42-5

    Molecular formula
    C8H10O3S

    SMILES
    CCOC(=O)SCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 76.85%
    Coffee 59.53%
    Roasted 53.45%
    Floral 52.02%
    Meaty 49.09%
    Onion 42.07%
    Garlic 37.03%
    Spicy 36.95%
    Burnt 36.0%
    Savory 35.98%

     

    Flavor
    Fruity 58.74%
    Sulfury 46.28%
    Coffee 45.51%
    Roasted 42.21%
    Nutty 38.66%
    Meaty 37.27%
    Fatty 34.24%
    Cooked 32.9%
    Mushroom 31.37%
    Roast 30.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.78 (neutral)

    Molecular weight
    186.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 97.32 ˚C est.

    Solubility expt.

    • Practically insoluble in water; Soluble in diether ether, ethyl acetate
    • Soluble (in ethanol)

  • Synonyms

    • O-Ethyl S-(2-furylmethyl)thiocarbonate
    • 376595-42-5
    • Ethoxy carbonyl furfurylthiol
    • FEMA No. 4043
    • UNII-1AZ807769B
    • O-Ethyl S-(furan-2-ylmethyl) thiocarbonate
    • 1AZ807769B
    • O-Ethyl S-(2-furanylmethyl)thiocarbonate [FHFI]
    • Carbonothioic acid, O-ethyl S-(2-furanylmethyl) ester
    • DTXSID20191080
    • ethyl furan-2-ylmethylsulfanylformate
    • O-ETHYL S-FURFURYL THIOCARBONATE
    • O-ethyl S-(furan-2-ylmethyl) carbonothioate
    • O-ethyl S-(2-furyl methyl) thiocarbonate
    • SCHEMBL5492952
    • DTXCID30113571
    • NS00125079
    • O-ETHYL S-(2-FURANYLMETHYL)THIOCARBONATE
    • Q27252175

  • Applications

    O-Ethyl S-(2-furylmethyl)thiocarbonate (CAS 376595-42-5) is primarily used as an organic synthesis intermediate in industrial chemistry, serving as a building block for furylmethyl-containing compounds. In fragrance and flavor chemistry, it can act as an odor-active precursor or intermediate for aroma materials. In cosmetics and personal care, it may be evaluated as a fragrance-related intermediate or functional ingredient under formulation constraints. It can also serve as a reactive intermediary in coatings, inks and polymer formulations, supporting resin synthesis or modification of polymer properties. Additionally, it may be encountered as a component in adhesive or sealant formulations under appropriate regulatory controls. Use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 183.33
    methanol 271.53
    isopropanol 127.25
    water 0.81
    ethyl acetate 417.32
    n-propanol 133.83
    acetone 748.28
    n-butanol 135.05
    acetonitrile 653.32
    DMF 1526.89
    toluene 243.78
    isobutanol 110.03
    1,4-dioxane 750.24
    methyl acetate 567.45
    THF 770.97
    2-butanone 563.05
    n-pentanol 128.07
    sec-butanol 142.66
    n-hexane 11.22
    ethylene glycol 72.59
    NMP 1302.6
    cyclohexane 25.19
    DMSO 1970.31
    n-butyl acetate 283.56
    n-octanol 67.51
    chloroform 854.35
    n-propyl acetate 291.65
    acetic acid 479.56
    dichloromethane 1094.86
    cyclohexanone 662.95
    propylene glycol 57.98
    isopropyl acetate 236.26
    DMAc 1751.02
    2-ethoxyethanol 463.91
    isopentanol 161.92
    n-heptane 10.31
    ethyl formate 274.73
    1,2-dichloroethane 760.25
    n-hexanol 96.38
    2-methoxyethanol 635.51
    isobutyl acetate 173.14
    tetrachloromethane 78.77
    n-pentyl acetate 150.78
    transcutol 1409.15
    n-heptanol 50.18
    ethylbenzene 140.46
    MIBK 215.3
    2-propoxyethanol 294.68
    tert-butanol 256.77
    MTBE 331.75
    2-butoxyethanol 153.78
    propionic acid 226.2
    o-xylene 170.7
    formic acid 193.93
    diethyl ether 288.88
    m-xylene 152.17
    p-xylene 180.11
    chlorobenzene 393.11
    dimethyl carbonate 281.46
    n-octane 5.93
    formamide 486.4
    cyclopentanone 782.1
    2-pentanone 359.35
    anisole 463.97
    cyclopentyl methyl ether 350.28
    gamma-butyrolactone 933.9
    1-methoxy-2-propanol 360.98
    pyridine 747.21
    3-pentanone 364.31
    furfural 1020.45
    n-dodecane 8.2
    diethylene glycol 299.97
    diisopropyl ether 83.9
    tert-amyl alcohol 246.47
    acetylacetone 614.37
    n-hexadecane 9.92
    acetophenone 468.15
    methyl propionate 392.16
    isopentyl acetate 250.18
    trichloroethylene 1492.67
    n-nonanol 66.11
    cyclohexanol 183.56
    benzyl alcohol 292.89
    2-ethylhexanol 86.12
    isooctanol 50.81
    dipropyl ether 108.03
    1,2-dichlorobenzene 406.53
    ethyl lactate 138.03
    propylene carbonate 437.35
    n-methylformamide 493.65
    2-pentanol 101.73
    n-pentane 10.52
    1-propoxy-2-propanol 193.55
    1-methoxy-2-propyl acetate 305.7
    2-(2-methoxypropoxy) propanol 285.45
    mesitylene 92.23
    ε-caprolactone 535.05
    p-cymene 76.65
    epichlorohydrin 1116.15
    1,1,1-trichloroethane 497.44
    2-aminoethanol 122.15
    morpholine-4-carbaldehyde 1313.5
    sulfolane 1269.27
    2,2,4-trimethylpentane 14.8
    2-methyltetrahydrofuran 529.72
    n-hexyl acetate 214.85
    isooctane 8.98
    2-(2-butoxyethoxy)ethanol 342.54
    sec-butyl acetate 200.19
    tert-butyl acetate 290.44
    decalin 27.75
    glycerin 146.5
    diglyme 738.48
    acrylic acid 275.91
    isopropyl myristate 97.0
    n-butyric acid 269.5
    acetyl acetate 350.85
    di(2-ethylhexyl) phthalate 107.93
    ethyl propionate 264.12
    nitromethane 1483.36
    1,2-diethoxyethane 389.39
    benzonitrile 406.01
    trioctyl phosphate 64.18
    1-bromopropane 268.04
    gamma-valerolactone 1115.91
    n-decanol 52.54
    triethyl phosphate 128.38
    4-methyl-2-pentanol 71.45
    propionitrile 309.67
    vinylene carbonate 457.12
    1,1,2-trichlorotrifluoroethane 663.81
    DMS 340.56
    cumene 89.35
    2-octanol 43.8
    2-hexanone 269.15
    octyl acetate 120.48
    limonene 111.43
    1,2-dimethoxyethane 833.15
    ethyl orthosilicate 116.69
    tributyl phosphate 103.14
    diacetone alcohol 301.49
    N,N-dimethylaniline 290.43
    acrylonitrile 539.08
    aniline 302.67
    1,3-propanediol 188.54
    bromobenzene 439.94
    dibromomethane 575.63
    1,1,2,2-tetrachloroethane 954.24
    2-methyl-cyclohexyl acetate 190.14
    tetrabutyl urea 152.52
    diisobutyl methanol 59.46
    2-phenylethanol 196.24
    styrene 217.39
    dioctyl adipate 168.54
    dimethyl sulfate 571.66
    ethyl butyrate 207.82
    methyl lactate 200.42
    butyl lactate 126.78
    diethyl carbonate 174.66
    propanediol butyl ether 163.56
    triethyl orthoformate 147.79
    p-tert-butyltoluene 71.67
    methyl 4-tert-butylbenzoate 247.87
    morpholine 760.59
    tert-butylamine 141.72
    n-dodecanol 43.63
    dimethoxymethane 635.61
    ethylene carbonate 371.06
    cyrene 329.17
    2-ethoxyethyl acetate 299.82
    2-ethylhexyl acetate 205.59
    1,2,4-trichlorobenzene 504.01
    4-methylpyridine 742.54
    dibutyl ether 132.59
    2,6-dimethyl-4-heptanol 59.46
    DEF 672.06
    dimethyl isosorbide 479.7
    tetrachloroethylene 512.6
    eugenol 249.66
    triacetin 319.71
    span 80 181.89
    1,4-butanediol 97.47
    1,1-dichloroethane 513.07
    2-methyl-1-pentanol 155.52
    methyl formate 407.21
    2-methyl-1-butanol 148.22
    n-decane 11.2
    butyronitrile 259.61
    3,7-dimethyl-1-octanol 87.8
    1-chlorooctane 61.23
    1-chlorotetradecane 32.4
    n-nonane 9.17
    undecane 9.39
    tert-butylcyclohexane 21.7
    cyclooctane 9.62
    cyclopentanol 182.58
    tetrahydropyran 439.77
    tert-amyl methyl ether 271.61
    2,5,8-trioxanonane 528.88
    1-hexene 63.5
    2-isopropoxyethanol 291.54
    2,2,2-trifluoroethanol 193.81
    methyl butyrate 350.25

    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