2-((Furan-2-ylmethyl)thio)pyridine

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  • Identifiers

    CAS number
    856591-70-3

    Molecular formula
    C10H9NOS

    SMILES
    C1=CC=NC(=C1)SCC2=CC=CO2

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 74.55%
    Meaty 72.74%
    Roasted 72.68%
    Coffee 70.42%
    Burnt 59.32%
    Nutty 53.71%
    Savory 46.69%
    Earthy 44.66%
    Beefy 40.35%
    Mushroom 39.16%

     

    Flavor
    Coffee 67.19%
    Roasted 64.31%
    Sulfury 62.81%
    Meaty 59.72%
    Nutty 46.13%
    Vegetable 45.26%
    Onion 41.05%
    Roast 40.14%
    Cooked 35.95%
    Mushroom 34.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    3.94 (weak acid)

    Molecular weight
    191.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point

    • 134.84 ˚C est.

  • Synonyms

    • 2-((Furan-2-ylmethyl)thio)pyridine
    • 856591-70-3
    • 2-Furfurylthio pyridine
    • 2-{[(Furan-2-yl)methyl]sulfanyl}pyridine
    • DTXSID10652276
    • 2-[(2-furanylmethyl)thio]Pyridine
    • AKOS006242562
    • SB61666
    • DB-076387
    • 856591-70-3

  • Applications

    2-((Furan-2-ylmethyl)thio)pyridine (CAS 856591-70-3) is primarily used as a synthetic building block in heteroaromatic chemistry. In pharmaceutical and agricultural chemical research, it is viewed as an intermediate for constructing diverse pyridine–furan structures. It can serve as a ligand motif or precursor for metal-catalyzed transformations, supporting the development of cross-coupling and related reactions. In materials science and coatings, it is investigated as a functional building block for specialty polymers, coatings, and inks, and as a precursor for dyeing formulations or electronic-material materials. The furan and thioether features also make it of interest as a fragrance ingredient or fragrance component in perfumery, with use subject to formulation limitations and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 300.51
    methanol 443.64
    isopropanol 135.12
    water 0.34
    ethyl acetate 571.15
    n-propanol 208.49
    acetone 426.37
    n-butanol 159.47
    acetonitrile 510.81
    DMF 443.19
    toluene 342.07
    isobutanol 130.89
    1,4-dioxane 1404.78
    methyl acetate 507.06
    THF 998.34
    2-butanone 503.05
    n-pentanol 142.34
    sec-butanol 147.36
    n-hexane 4.51
    ethylene glycol 144.95
    NMP 279.92
    cyclohexane 24.32
    DMSO 1310.19
    n-butyl acetate 178.59
    n-octanol 41.96
    chloroform 1054.59
    n-propyl acetate 211.58
    acetic acid 328.03
    dichloromethane 1333.55
    cyclohexanone 472.12
    propylene glycol 141.76
    isopropyl acetate 188.97
    DMAc 736.42
    2-ethoxyethanol 536.09
    isopentanol 140.8
    n-heptane 10.02
    ethyl formate 271.53
    1,2-dichloroethane 787.14
    n-hexanol 92.72
    2-methoxyethanol 738.67
    isobutyl acetate 125.58
    tetrachloromethane 61.5
    n-pentyl acetate 88.45
    transcutol 1851.0
    n-heptanol 40.34
    ethylbenzene 84.46
    MIBK 141.88
    2-propoxyethanol 294.11
    tert-butanol 147.73
    MTBE 189.4
    2-butoxyethanol 138.96
    propionic acid 197.14
    o-xylene 122.36
    formic acid 168.94
    diethyl ether 361.98
    m-xylene 110.63
    p-xylene 94.82
    chlorobenzene 309.49
    dimethyl carbonate 205.97
    n-octane 3.51
    formamide 340.62
    cyclopentanone 455.02
    2-pentanone 285.32
    anisole 297.47
    cyclopentyl methyl ether 349.64
    gamma-butyrolactone 526.47
    1-methoxy-2-propanol 382.06
    pyridine 1126.59
    3-pentanone 279.46
    furfural 613.7
    n-dodecane 4.56
    diethylene glycol 325.4
    diisopropyl ether 56.26
    tert-amyl alcohol 147.89
    acetylacetone 408.08
    n-hexadecane 5.43
    acetophenone 238.67
    methyl propionate 396.82
    isopentyl acetate 163.52
    trichloroethylene 1349.68
    n-nonanol 43.75
    cyclohexanol 195.75
    benzyl alcohol 234.66
    2-ethylhexanol 68.78
    isooctanol 38.15
    dipropyl ether 130.02
    1,2-dichlorobenzene 219.34
    ethyl lactate 92.17
    propylene carbonate 244.67
    n-methylformamide 295.28
    2-pentanol 89.71
    n-pentane 6.26
    1-propoxy-2-propanol 183.55
    1-methoxy-2-propyl acetate 250.4
    2-(2-methoxypropoxy) propanol 207.5
    mesitylene 53.48
    ε-caprolactone 383.24
    p-cymene 46.83
    epichlorohydrin 1031.22
    1,1,1-trichloroethane 365.47
    2-aminoethanol 214.51
    morpholine-4-carbaldehyde 716.44
    sulfolane 504.45
    2,2,4-trimethylpentane 7.91
    2-methyltetrahydrofuran 553.08
    n-hexyl acetate 117.53
    isooctane 4.4
    2-(2-butoxyethoxy)ethanol 325.59
    sec-butyl acetate 132.56
    tert-butyl acetate 158.03
    decalin 14.41
    glycerin 228.17
    diglyme 673.4
    acrylic acid 214.94
    isopropyl myristate 55.17
    n-butyric acid 262.42
    acetyl acetate 266.64
    di(2-ethylhexyl) phthalate 65.22
    ethyl propionate 183.9
    nitromethane 778.47
    1,2-diethoxyethane 462.14
    benzonitrile 267.72
    trioctyl phosphate 35.02
    1-bromopropane 254.85
    gamma-valerolactone 728.35
    n-decanol 36.02
    triethyl phosphate 77.05
    4-methyl-2-pentanol 53.64
    propionitrile 316.11
    vinylene carbonate 298.34
    1,1,2-trichlorotrifluoroethane 541.03
    DMS 175.96
    cumene 47.77
    2-octanol 26.02
    2-hexanone 179.88
    octyl acetate 64.9
    limonene 70.14
    1,2-dimethoxyethane 770.19
    ethyl orthosilicate 75.98
    tributyl phosphate 53.15
    diacetone alcohol 186.04
    N,N-dimethylaniline 153.56
    acrylonitrile 422.86
    aniline 412.45
    1,3-propanediol 268.42
    bromobenzene 343.57
    dibromomethane 619.98
    1,1,2,2-tetrachloroethane 842.73
    2-methyl-cyclohexyl acetate 117.61
    tetrabutyl urea 79.59
    diisobutyl methanol 41.87
    2-phenylethanol 151.57
    styrene 148.5
    dioctyl adipate 99.05
    dimethyl sulfate 260.35
    ethyl butyrate 151.88
    methyl lactate 151.67
    butyl lactate 80.55
    diethyl carbonate 111.51
    propanediol butyl ether 147.17
    triethyl orthoformate 111.71
    p-tert-butyltoluene 40.12
    methyl 4-tert-butylbenzoate 130.74
    morpholine 1282.61
    tert-butylamine 80.41
    n-dodecanol 30.03
    dimethoxymethane 615.58
    ethylene carbonate 238.65
    cyrene 199.11
    2-ethoxyethyl acetate 230.23
    2-ethylhexyl acetate 133.17
    1,2,4-trichlorobenzene 284.48
    4-methylpyridine 634.28
    dibutyl ether 102.72
    2,6-dimethyl-4-heptanol 41.87
    DEF 398.32
    dimethyl isosorbide 311.72
    tetrachloroethylene 493.34
    eugenol 144.47
    triacetin 185.69
    span 80 132.4
    1,4-butanediol 124.49
    1,1-dichloroethane 468.18
    2-methyl-1-pentanol 140.68
    methyl formate 252.42
    2-methyl-1-butanol 139.04
    n-decane 6.42
    butyronitrile 257.02
    3,7-dimethyl-1-octanol 61.32
    1-chlorooctane 35.17
    1-chlorotetradecane 18.23
    n-nonane 5.33
    undecane 5.25
    tert-butylcyclohexane 10.21
    cyclooctane 7.84
    cyclopentanol 166.37
    tetrahydropyran 784.89
    tert-amyl methyl ether 160.75
    2,5,8-trioxanonane 455.92
    1-hexene 37.66
    2-isopropoxyethanol 279.47
    2,2,2-trifluoroethanol 106.66
    methyl butyrate 231.04

    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