2-Furancarboxaldehyde, 5-(methylthio)-

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  • Identifiers

    CAS number
    932-94-5

    Molecular formula
    C6H6O2S

    SMILES
    CSC1=CC=C(O1)C=O

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 61.85%
    Sweet 52.59%
    Coffee 50.73%
    Caramellic 50.73%
    Roasted 50.59%
    Nutty 46.79%
    Meaty 45.58%
    Burnt 42.26%
    Spicy 38.55%
    Onion 37.53%

     

    Flavor
    Sulfur 40.68%
    Coffee 39.48%
    Sulfury 37.37%
    Roasted 36.43%
    Onion 35.44%
    Nutty 35.21%
    Creamy 32.85%
    Roast 32.05%
    Fatty 31.51%
    Sulfurous 31.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.33 (weak acid)

    Molecular weight
    142.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 78.54 ˚C est.

  • Synonyms

    • 932-94-5
    • 5-(methylsulfanyl)furan-2-carbaldehyde
    • 2-Furancarboxaldehyde, 5-(methylthio)-
    • 5-methylsulfanylfuran-2-carbaldehyde
    • 5-(Methylthio)furan-2-carbaldehyde
    • 5-methylthio-2-furaldehyde
    • SCHEMBL1169761
    • DTXSID70448692
    • AAA93294
    • 5-(Methylthio)-2-furancarboxaldehyde
    • AKOS013114723
    • 5-(methylsulfonyl)furan-2-carbaldehyde
    • AT17272
    • EN300-250132
    • Z1157748816
    • 932-94-5

  • Applications

    2-Furancarboxaldehyde, 5-(methylthio)- (CAS number: 932-94-5) is typically used as an intermediate in fragrance and flavor chemistry, enabling the synthesis of sulfur-containing aroma compounds and related fragrance ingredients; it is commonly evaluated as a precursor for specialty polymers and furan-based resins used in coatings and inks; it also serves as a synthetic intermediate in pharmaceutical and agrochemical research for the construction of heterocyclic molecules; in cosmetics and personal care formulations, it may function as a fragrance intermediate or odorant component; and in industrial manufacturing, it appears as a building block for various specialty chemicals and processing aids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 446.01
    methanol 667.55
    isopropanol 242.97
    water 7.22
    ethyl acetate 897.49
    n-propanol 281.79
    acetone 1953.91
    n-butanol 237.74
    acetonitrile 1416.63
    DMF 1687.03
    toluene 326.28
    isobutanol 203.81
    1,4-dioxane 1292.91
    methyl acetate 1318.96
    THF 1823.71
    2-butanone 1121.19
    n-pentanol 197.25
    sec-butanol 225.86
    n-hexane 26.73
    ethylene glycol 178.16
    NMP 1760.91
    cyclohexane 68.7
    DMSO 2608.22
    n-butyl acetate 469.16
    n-octanol 141.86
    chloroform 1557.29
    n-propyl acetate 641.57
    acetic acid 673.88
    dichloromethane 2565.99
    cyclohexanone 1390.06
    propylene glycol 109.07
    isopropyl acetate 413.18
    DMAc 1251.05
    2-ethoxyethanol 550.25
    isopentanol 223.95
    n-heptane 37.69
    ethyl formate 698.84
    1,2-dichloroethane 1575.13
    n-hexanol 167.49
    2-methoxyethanol 798.7
    isobutyl acetate 315.78
    tetrachloromethane 249.44
    n-pentyl acetate 317.67
    transcutol 1595.51
    n-heptanol 105.55
    ethylbenzene 170.9
    MIBK 380.37
    2-propoxyethanol 429.05
    tert-butanol 325.12
    MTBE 430.7
    2-butoxyethanol 251.38
    propionic acid 477.5
    o-xylene 232.52
    formic acid 353.98
    diethyl ether 511.91
    m-xylene 222.3
    p-xylene 252.02
    chlorobenzene 581.93
    dimethyl carbonate 464.45
    n-octane 20.93
    formamide 947.34
    cyclopentanone 2001.61
    2-pentanone 718.17
    anisole 521.67
    cyclopentyl methyl ether 679.81
    gamma-butyrolactone 2244.39
    1-methoxy-2-propanol 456.46
    pyridine 1185.33
    3-pentanone 626.58
    furfural 1627.87
    n-dodecane 22.95
    diethylene glycol 444.57
    diisopropyl ether 155.35
    tert-amyl alcohol 288.71
    acetylacetone 1063.65
    n-hexadecane 26.77
    acetophenone 535.25
    methyl propionate 727.6
    isopentyl acetate 368.16
    trichloroethylene 2809.96
    n-nonanol 119.97
    cyclohexanol 299.3
    benzyl alcohol 330.54
    2-ethylhexanol 139.59
    isooctanol 99.64
    dipropyl ether 226.78
    1,2-dichlorobenzene 576.32
    ethyl lactate 215.29
    propylene carbonate 882.86
    n-methylformamide 1006.99
    2-pentanol 166.39
    n-pentane 29.16
    1-propoxy-2-propanol 283.5
    1-methoxy-2-propyl acetate 417.09
    2-(2-methoxypropoxy) propanol 295.4
    mesitylene 158.1
    ε-caprolactone 1010.08
    p-cymene 124.6
    epichlorohydrin 2196.02
    1,1,1-trichloroethane 1094.95
    2-aminoethanol 215.19
    morpholine-4-carbaldehyde 1554.35
    sulfolane 2263.08
    2,2,4-trimethylpentane 29.7
    2-methyltetrahydrofuran 1126.33
    n-hexyl acetate 400.58
    isooctane 23.51
    2-(2-butoxyethoxy)ethanol 396.8
    sec-butyl acetate 337.84
    tert-butyl acetate 452.23
    decalin 49.01
    glycerin 205.89
    diglyme 922.35
    acrylic acid 504.93
    isopropyl myristate 159.2
    n-butyric acid 469.55
    acetyl acetate 580.32
    di(2-ethylhexyl) phthalate 142.86
    ethyl propionate 455.23
    nitromethane 2839.14
    1,2-diethoxyethane 554.54
    benzonitrile 612.07
    trioctyl phosphate 104.76
    1-bromopropane 508.78
    gamma-valerolactone 1908.74
    n-decanol 95.1
    triethyl phosphate 178.53
    4-methyl-2-pentanol 114.84
    propionitrile 670.89
    vinylene carbonate 827.53
    1,1,2-trichlorotrifluoroethane 893.76
    DMS 504.31
    cumene 119.41
    2-octanol 95.44
    2-hexanone 503.36
    octyl acetate 192.07
    limonene 178.53
    1,2-dimethoxyethane 984.07
    ethyl orthosilicate 165.64
    tributyl phosphate 139.95
    diacetone alcohol 423.37
    N,N-dimethylaniline 312.73
    acrylonitrile 1028.49
    aniline 363.93
    1,3-propanediol 318.01
    bromobenzene 663.21
    dibromomethane 1262.06
    1,1,2,2-tetrachloroethane 1455.61
    2-methyl-cyclohexyl acetate 266.2
    tetrabutyl urea 194.7
    diisobutyl methanol 106.35
    2-phenylethanol 269.44
    styrene 262.61
    dioctyl adipate 230.67
    dimethyl sulfate 808.69
    ethyl butyrate 351.91
    methyl lactate 281.35
    butyl lactate 196.03
    diethyl carbonate 255.54
    propanediol butyl ether 258.97
    triethyl orthoformate 224.75
    p-tert-butyltoluene 115.95
    methyl 4-tert-butylbenzoate 319.36
    morpholine 1147.29
    tert-butylamine 191.93
    n-dodecanol 77.6
    dimethoxymethane 906.46
    ethylene carbonate 673.25
    cyrene 398.47
    2-ethoxyethyl acetate 510.23
    2-ethylhexyl acetate 298.67
    1,2,4-trichlorobenzene 658.19
    4-methylpyridine 954.7
    dibutyl ether 234.32
    2,6-dimethyl-4-heptanol 106.35
    DEF 831.69
    dimethyl isosorbide 614.84
    tetrachloroethylene 1006.87
    eugenol 307.88
    triacetin 478.01
    span 80 223.92
    1,4-butanediol 167.66
    1,1-dichloroethane 1174.93
    2-methyl-1-pentanol 193.32
    methyl formate 1052.79
    2-methyl-1-butanol 213.51
    n-decane 32.85
    butyronitrile 519.72
    3,7-dimethyl-1-octanol 146.12
    1-chlorooctane 134.96
    1-chlorotetradecane 61.6
    n-nonane 31.94
    undecane 26.84
    tert-butylcyclohexane 42.01
    cyclooctane 29.09
    cyclopentanol 392.9
    tetrahydropyran 887.68
    tert-amyl methyl ether 329.24
    2,5,8-trioxanonane 572.66
    1-hexene 112.68
    2-isopropoxyethanol 386.96
    2,2,2-trifluoroethanol 357.98
    methyl butyrate 618.01

    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