2-[1-(furan-2-ylmethoxy)ethylsulfanylmethyl]furan

  • Identifiers

    Molecular formula
    C12H14O3S

    SMILES
    CC(OCC1=CC=CO1)SCC2=CC=CO2

  • Odor profile

    Fragrance
    Coffee 73.15%
    Sulfurous 67.26%
    Roasted 67.03%
    Meaty 62.89%
    Burnt 48.29%
    Savory 44.53%
    Nutty 43.15%
    Onion 38.99%
    Earthy 36.18%
    Cooked 35.52%

     

    Flavor
    Roasted 66.51%
    Sulfury 66.16%
    Coffee 65.91%
    Meaty 61.79%
    Onion 47.9%
    Roast 40.13%
    Vegetable 38.37%
    Earthy 38.29%
    Burnt 37.98%
    Mushroom 37.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.11 (weak acid)

    Molecular weight
    238.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 132.22 ˚C est.

  • Applications

    2-[1-(furan-2-ylmethoxy)ethylsulfanylmethyl]furan (CAS number: ) is primarily used as an intermediate in the synthesis of fragrance compounds and specialty polymer materials; it is commonly evaluated for cosmetics/personal care applications as a fragrance ingredient or intermediate, and may serve in polymer or plastics systems as a functional unit; it can also be employed as a reactive intermediate in coatings and inks to impart sulfur- and furan-containing functionality that can influence adhesion and chemical reactivity; in industrial manufacturing, it provides a building block for specialized intermediates and related applications in plastics and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 432.4
    methanol 598.63
    isopropanol 279.42
    water 3.1
    ethyl acetate 442.68
    n-propanol 300.69
    acetone 260.73
    n-butanol 263.8
    acetonitrile 516.03
    DMF 226.33
    toluene 257.96
    isobutanol 201.19
    1,4-dioxane 1562.99
    methyl acetate 426.51
    THF 947.03
    2-butanone 330.01
    n-pentanol 235.89
    sec-butanol 251.83
    n-hexane 7.4
    ethylene glycol 164.41
    NMP 117.32
    cyclohexane 67.64
    DMSO 775.5
    n-butyl acetate 145.74
    n-octanol 120.39
    chloroform 1345.35
    n-propyl acetate 226.12
    acetic acid 337.88
    dichloromethane 1417.57
    cyclohexanone 385.83
    propylene glycol 252.77
    isopropyl acetate 182.61
    DMAc 446.54
    2-ethoxyethanol 728.06
    isopentanol 193.18
    n-heptane 18.05
    ethyl formate 262.76
    1,2-dichloroethane 684.82
    n-hexanol 141.28
    2-methoxyethanol 738.93
    isobutyl acetate 141.5
    tetrachloromethane 89.55
    n-pentyl acetate 121.33
    transcutol 1491.23
    n-heptanol 87.53
    ethylbenzene 117.37
    MIBK 155.36
    2-propoxyethanol 377.67
    tert-butanol 308.42
    MTBE 234.7
    2-butoxyethanol 222.43
    propionic acid 215.65
    o-xylene 137.15
    formic acid 150.11
    diethyl ether 305.91
    m-xylene 118.65
    p-xylene 151.94
    chlorobenzene 286.9
    dimethyl carbonate 135.62
    n-octane 10.52
    formamide 273.77
    cyclopentanone 270.31
    2-pentanone 209.06
    anisole 339.27
    cyclopentyl methyl ether 300.09
    gamma-butyrolactone 322.47
    1-methoxy-2-propanol 474.16
    pyridine 797.89
    3-pentanone 206.07
    furfural 447.05
    n-dodecane 14.37
    diethylene glycol 398.14
    diisopropyl ether 61.95
    tert-amyl alcohol 230.42
    acetylacetone 278.88
    n-hexadecane 16.46
    acetophenone 274.33
    methyl propionate 264.47
    isopentyl acetate 146.1
    trichloroethylene 1006.05
    n-nonanol 121.95
    cyclohexanol 278.05
    benzyl alcohol 306.75
    2-ethylhexanol 99.47
    isooctanol 76.41
    dipropyl ether 154.1
    1,2-dichlorobenzene 233.82
    ethyl lactate 130.02
    propylene carbonate 221.74
    n-methylformamide 171.22
    2-pentanol 150.04
    n-pentane 9.71
    1-propoxy-2-propanol 230.69
    1-methoxy-2-propyl acetate 209.22
    2-(2-methoxypropoxy) propanol 270.62
    mesitylene 68.18
    ε-caprolactone 324.83
    p-cymene 67.3
    epichlorohydrin 759.09
    1,1,1-trichloroethane 462.05
    2-aminoethanol 268.26
    morpholine-4-carbaldehyde 488.88
    sulfolane 292.11
    2,2,4-trimethylpentane 10.73
    2-methyltetrahydrofuran 505.71
    n-hexyl acetate 173.4
    isooctane 6.98
    2-(2-butoxyethoxy)ethanol 410.31
    sec-butyl acetate 146.6
    tert-butyl acetate 154.95
    decalin 23.89
    glycerin 308.65
    diglyme 807.95
    acrylic acid 192.32
    isopropyl myristate 89.0
    n-butyric acid 273.13
    acetyl acetate 238.45
    di(2-ethylhexyl) phthalate 93.8
    ethyl propionate 193.9
    nitromethane 520.64
    1,2-diethoxyethane 439.16
    benzonitrile 313.56
    trioctyl phosphate 56.9
    1-bromopropane 314.89
    gamma-valerolactone 541.17
    n-decanol 96.27
    triethyl phosphate 89.96
    4-methyl-2-pentanol 86.42
    propionitrile 327.89
    vinylene carbonate 276.54
    1,1,2-trichlorotrifluoroethane 416.15
    DMS 163.04
    cumene 69.28
    2-octanol 67.24
    2-hexanone 194.57
    octyl acetate 106.88
    limonene 91.41
    1,2-dimethoxyethane 1040.52
    ethyl orthosilicate 93.06
    tributyl phosphate 75.12
    diacetone alcohol 197.66
    N,N-dimethylaniline 200.88
    acrylonitrile 387.45
    aniline 319.54
    1,3-propanediol 366.35
    bromobenzene 323.82
    dibromomethane 759.07
    1,1,2,2-tetrachloroethane 852.34
    2-methyl-cyclohexyl acetate 141.8
    tetrabutyl urea 114.86
    diisobutyl methanol 63.7
    2-phenylethanol 185.6
    styrene 179.74
    dioctyl adipate 143.59
    dimethyl sulfate 154.77
    ethyl butyrate 158.55
    methyl lactate 138.76
    butyl lactate 107.77
    diethyl carbonate 129.41
    propanediol butyl ether 230.98
    triethyl orthoformate 139.87
    p-tert-butyltoluene 59.41
    methyl 4-tert-butylbenzoate 173.17
    morpholine 1218.06
    tert-butylamine 157.1
    n-dodecanol 77.44
    dimethoxymethane 455.72
    ethylene carbonate 268.96
    cyrene 233.04
    2-ethoxyethyl acetate 222.25
    2-ethylhexyl acetate 115.64
    1,2,4-trichlorobenzene 281.97
    4-methylpyridine 445.56
    dibutyl ether 168.68
    2,6-dimethyl-4-heptanol 63.7
    DEF 239.58
    dimethyl isosorbide 352.83
    tetrachloroethylene 479.29
    eugenol 190.92
    triacetin 234.69
    span 80 196.75
    1,4-butanediol 227.02
    1,1-dichloroethane 559.86
    2-methyl-1-pentanol 169.63
    methyl formate 157.3
    2-methyl-1-butanol 172.4
    n-decane 22.12
    butyronitrile 322.37
    3,7-dimethyl-1-octanol 116.15
    1-chlorooctane 86.59
    1-chlorotetradecane 41.0
    n-nonane 18.47
    undecane 17.04
    tert-butylcyclohexane 16.63
    cyclooctane 18.9
    cyclopentanol 213.99
    tetrahydropyran 878.45
    tert-amyl methyl ether 166.9
    2,5,8-trioxanonane 605.74
    1-hexene 50.53
    2-isopropoxyethanol 398.83
    2,2,2-trifluoroethanol 126.7
    methyl butyrate 247.4

    Scent© AI

1 of 3
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