Methyl 5-methylfurfuryl sulfide

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  • Identifiers

    CAS number
    13679-60-2

    Molecular formula
    C7H10OS

    SMILES
    CC1=CC=C(O1)CSC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 76.92%
    Roasted 68.06%
    Coffee 63.1%
    Onion 62.29%
    Alliaceous 57.39%
    Meaty 57.39%
    Garlic 55.34%
    Savory 48.57%
    Burnt 45.65%
    Vegetable 44.87%

     

    Flavor
    Sulfury 69.09%
    Roasted 66.95%
    Coffee 61.65%
    Onion 59.18%
    Meaty 59.04%
    Garlic 50.39%
    Sulfurous 49.92%
    Burnt 45.21%
    Roast 44.58%
    Vegetable 44.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.04 (neutral)

    Molecular weight
    142.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    218°C

    Flash point

    • 63.25 ˚C est.

  • Synonyms

    • 13679-60-2
    • 2-methyl-5-(methylsulfanylmethyl)furan
    • 2-methyl-5-((methylthio)methyl)furan
    • 2-methyl-5-[(methylthio)methyl]furan
    • 58NAV4WHK6
    • Methyl 5-methylfurfuryl sulfide
    • Furan, 2-methyl-5-(methylthio)methyl-
    • DTXSID601020138
    • RefChem:817144
    • DTXCID101477980
    • Furan, 2-methyl-5-((methylthio)methyl)-
    • 5-Methylfurfuryl methyl sulfide
    • UNII-58NAV4WHK6
    • 5-Methylfurfurylmethylsulfid
    • 2-METHYL-5-[(METHYLSULFANYL)METHYL]FURAN
    • SCHEMBL6129977
    • 5 -Methylfurfuryl methyl sulfide
    • NS00126282
    • 13679-60-2

  • Applications

    Methyl 5-methylfurfuryl sulfide is primarily used as a building block in fragrance chemistry, acting as an odorant and/or fixative for sulfur-containing aroma compounds. It is commonly evaluated for fragrance and flavor applications, potentially contributing furfuryl-related notes in formulations. In cosmetics and personal care, it may appear as a fragrance ingredient. In household products and cleaners, it is used as a scent component to enhance product aroma. In industrial manufacturing, it serves as an intermediate for the synthesis of sulfur-containing aroma compounds and other specialty intermediates used in fragrance, coatings or plastics, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1070.1
    methanol 1077.29
    isopropanol 835.29
    water 6.7
    ethyl acetate 637.63
    n-propanol 851.31
    acetone 1204.23
    n-butanol 762.88
    acetonitrile 1022.27
    DMF 1138.24
    toluene 812.78
    isobutanol 667.54
    1,4-dioxane 1940.39
    methyl acetate 705.66
    THF 1981.06
    2-butanone 790.04
    n-pentanol 601.08
    sec-butanol 699.16
    n-hexane 297.54
    ethylene glycol 333.72
    NMP 941.66
    cyclohexane 790.32
    DMSO 1441.15
    n-butyl acetate 509.3
    n-octanol 536.69
    chloroform 2977.55
    n-propyl acetate 416.1
    acetic acid 781.35
    dichloromethane 2482.41
    cyclohexanone 1458.77
    propylene glycol 429.31
    isopropyl acetate 362.03
    DMAc 845.39
    2-ethoxyethanol 642.45
    isopentanol 539.14
    n-heptane 317.59
    ethyl formate 464.54
    1,2-dichloroethane 1096.24
    n-hexanol 799.96
    2-methoxyethanol 934.59
    isobutyl acetate 303.36
    tetrachloromethane 562.11
    n-pentyl acetate 387.82
    transcutol 1771.3
    n-heptanol 361.53
    ethylbenzene 362.94
    MIBK 389.89
    2-propoxyethanol 858.49
    tert-butanol 835.87
    MTBE 578.5
    2-butoxyethanol 455.35
    propionic acid 683.1
    o-xylene 429.67
    formic acid 211.24
    diethyl ether 830.89
    m-xylene 428.04
    p-xylene 444.53
    chlorobenzene 815.96
    dimethyl carbonate 283.65
    n-octane 118.89
    formamide 291.12
    cyclopentanone 1266.27
    2-pentanone 666.62
    anisole 604.36
    cyclopentyl methyl ether 998.24
    gamma-butyrolactone 1187.34
    1-methoxy-2-propanol 793.14
    pyridine 1391.14
    3-pentanone 535.66
    furfural 1051.72
    n-dodecane 105.5
    diethylene glycol 661.59
    diisopropyl ether 248.75
    tert-amyl alcohol 597.75
    acetylacetone 682.99
    n-hexadecane 117.72
    acetophenone 484.3
    methyl propionate 562.32
    isopentyl acetate 384.16
    trichloroethylene 1768.63
    n-nonanol 428.08
    cyclohexanol 1066.72
    benzyl alcohol 501.54
    2-ethylhexanol 424.99
    isooctanol 273.85
    dipropyl ether 600.04
    1,2-dichlorobenzene 633.46
    ethyl lactate 251.13
    propylene carbonate 685.53
    n-methylformamide 550.33
    2-pentanol 502.16
    n-pentane 302.33
    1-propoxy-2-propanol 614.27
    1-methoxy-2-propyl acetate 466.15
    2-(2-methoxypropoxy) propanol 480.9
    mesitylene 266.66
    ε-caprolactone 944.81
    p-cymene 246.23
    epichlorohydrin 1209.2
    1,1,1-trichloroethane 1196.99
    2-aminoethanol 541.15
    morpholine-4-carbaldehyde 1098.87
    sulfolane 1375.32
    2,2,4-trimethylpentane 99.6
    2-methyltetrahydrofuran 1388.85
    n-hexyl acetate 678.63
    isooctane 79.36
    2-(2-butoxyethoxy)ethanol 717.22
    sec-butyl acetate 253.71
    tert-butyl acetate 371.27
    decalin 190.09
    glycerin 511.34
    diglyme 1137.11
    acrylic acid 572.02
    isopropyl myristate 278.54
    n-butyric acid 733.84
    acetyl acetate 432.42
    di(2-ethylhexyl) phthalate 257.35
    ethyl propionate 358.19
    nitromethane 939.97
    1,2-diethoxyethane 647.95
    benzonitrile 704.2
    trioctyl phosphate 197.39
    1-bromopropane 859.32
    gamma-valerolactone 1346.65
    n-decanol 323.06
    triethyl phosphate 197.61
    4-methyl-2-pentanol 260.93
    propionitrile 769.0
    vinylene carbonate 717.07
    1,1,2-trichlorotrifluoroethane 811.44
    DMS 435.96
    cumene 225.78
    2-octanol 312.68
    2-hexanone 512.58
    octyl acetate 368.25
    limonene 396.2
    1,2-dimethoxyethane 1117.69
    ethyl orthosilicate 193.74
    tributyl phosphate 216.93
    diacetone alcohol 454.97
    N,N-dimethylaniline 421.37
    acrylonitrile 812.73
    aniline 728.03
    1,3-propanediol 593.56
    bromobenzene 914.73
    dibromomethane 1753.42
    1,1,2,2-tetrachloroethane 1531.93
    2-methyl-cyclohexyl acetate 366.89
    tetrabutyl urea 311.15
    diisobutyl methanol 223.46
    2-phenylethanol 480.78
    styrene 482.52
    dioctyl adipate 375.11
    dimethyl sulfate 396.12
    ethyl butyrate 390.09
    methyl lactate 335.89
    butyl lactate 294.28
    diethyl carbonate 278.95
    propanediol butyl ether 554.79
    triethyl orthoformate 274.77
    p-tert-butyltoluene 229.79
    methyl 4-tert-butylbenzoate 443.78
    morpholine 1777.45
    tert-butylamine 629.99
    n-dodecanol 259.89
    dimethoxymethane 764.75
    ethylene carbonate 597.59
    cyrene 443.55
    2-ethoxyethyl acetate 475.03
    2-ethylhexyl acetate 335.75
    1,2,4-trichlorobenzene 739.48
    4-methylpyridine 1147.06
    dibutyl ether 579.39
    2,6-dimethyl-4-heptanol 223.46
    DEF 640.36
    dimethyl isosorbide 671.3
    tetrachloroethylene 1063.56
    eugenol 432.86
    triacetin 543.5
    span 80 543.23
    1,4-butanediol 331.97
    1,1-dichloroethane 1295.37
    2-methyl-1-pentanol 445.18
    methyl formate 467.94
    2-methyl-1-butanol 542.88
    n-decane 168.15
    butyronitrile 761.69
    3,7-dimethyl-1-octanol 391.26
    1-chlorooctane 436.64
    1-chlorotetradecane 193.81
    n-nonane 185.9
    undecane 127.68
    tert-butylcyclohexane 149.23
    cyclooctane 235.91
    cyclopentanol 1091.57
    tetrahydropyran 1895.77
    tert-amyl methyl ether 451.45
    2,5,8-trioxanonane 850.36
    1-hexene 593.68
    2-isopropoxyethanol 450.46
    2,2,2-trifluoroethanol 269.16
    methyl butyrate 488.09

    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