Propanal, 3-(2-furanylthio)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68922-06-5

    Molecular formula
    C7H8O2S

    SMILES
    C1=COC(=C1)SCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 65.94%
    Meaty 60.48%
    Roasted 59.94%
    Coffee 53.77%
    Nutty 48.15%
    Savory 46.05%
    Onion 43.82%
    Burnt 40.34%
    Garlic 40.27%
    Alliaceous 38.41%

     

    Flavor
    Sulfury 53.67%
    Onion 49.27%
    Coffee 47.58%
    Sulfurous 46.91%
    Roasted 46.91%
    Vegetable 41.35%
    Meaty 40.59%
    Garlic 39.49%
    Sulfur 36.14%
    Horseradish 33.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    4.68 (weak acid)

    Molecular weight
    156.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 104.03 ˚C est.

  • Synonyms

    • 3-(2-Furanylthio)propanal
    • Propanal, 3-(2-furanylthio)-
    • 68922-06-5
    • EINECS 272-978-9
    • DTXSID9071848
    • RefChem:176260
    • DTXCID2046335
    • 3-(2-Furylthio)propionaldehyde
    • VVOWYIAEEPWSHY-UHFFFAOYSA-N
    • 3-[(Furan-2-yl)sulfanyl]propanal
    • NS00036758
    • 68922-06-5

  • Applications

    Propanal, 3-(2-furanylthio)- primarily serves as an intermediate in fragrance and flavor chemistry, used to synthesize furanyl- and sulfur-containing aroma compounds. It is also evaluated as a reactive aldehyde building block for functionalized specialty chemicals in polymer and coating formulations, enabling derivatization and crosslinking. In pharmaceutical research, it may be employed as a synthetic intermediate to access more complex molecules. Additionally, it can serve as a precursor for specialty fragrance ingredients intended for cosmetics and personal care formulations, subject to formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 358.97
    methanol 588.5
    isopropanol 211.43
    water 2.5
    ethyl acetate 660.58
    n-propanol 226.12
    acetone 1956.63
    n-butanol 185.1
    acetonitrile 1225.8
    DMF 3010.9
    toluene 316.79
    isobutanol 162.0
    1,4-dioxane 1064.45
    methyl acetate 986.77
    THF 1279.55
    2-butanone 1122.42
    n-pentanol 186.92
    sec-butanol 201.72
    n-hexane 14.14
    ethylene glycol 173.39
    NMP 2685.43
    cyclohexane 41.89
    DMSO 5520.53
    n-butyl acetate 514.82
    n-octanol 126.61
    chloroform 1140.67
    n-propyl acetate 579.4
    acetic acid 876.59
    dichloromethane 1833.27
    cyclohexanone 1439.14
    propylene glycol 141.84
    isopropyl acetate 332.75
    DMAc 1941.05
    2-ethoxyethanol 595.37
    isopentanol 180.35
    n-heptane 19.19
    ethyl formate 576.21
    1,2-dichloroethane 1246.16
    n-hexanol 153.96
    2-methoxyethanol 816.23
    isobutyl acetate 301.82
    tetrachloromethane 132.39
    n-pentyl acetate 313.92
    transcutol 3043.02
    n-heptanol 87.23
    ethylbenzene 180.65
    MIBK 322.12
    2-propoxyethanol 393.61
    tert-butanol 263.83
    MTBE 312.83
    2-butoxyethanol 261.61
    propionic acid 509.14
    o-xylene 239.68
    formic acid 480.84
    diethyl ether 291.83
    m-xylene 205.29
    p-xylene 251.57
    chlorobenzene 686.84
    dimethyl carbonate 433.72
    n-octane 8.54
    formamide 1200.77
    cyclopentanone 1880.92
    2-pentanone 624.11
    anisole 631.86
    cyclopentyl methyl ether 518.95
    gamma-butyrolactone 2037.42
    1-methoxy-2-propanol 470.56
    pyridine 1408.07
    3-pentanone 543.35
    furfural 2311.92
    n-dodecane 9.62
    diethylene glycol 414.1
    diisopropyl ether 90.27
    tert-amyl alcohol 269.04
    acetylacetone 1098.05
    n-hexadecane 11.52
    acetophenone 775.39
    methyl propionate 631.08
    isopentyl acetate 402.06
    trichloroethylene 2662.48
    n-nonanol 112.72
    cyclohexanol 270.21
    benzyl alcohol 462.24
    2-ethylhexanol 133.88
    isooctanol 84.04
    dipropyl ether 194.09
    1,2-dichlorobenzene 646.89
    ethyl lactate 244.08
    propylene carbonate 903.18
    n-methylformamide 1396.17
    2-pentanol 123.26
    n-pentane 11.97
    1-propoxy-2-propanol 309.62
    1-methoxy-2-propyl acetate 492.78
    2-(2-methoxypropoxy) propanol 409.28
    mesitylene 129.12
    ε-caprolactone 1035.05
    p-cymene 122.75
    epichlorohydrin 1889.65
    1,1,1-trichloroethane 726.21
    2-aminoethanol 248.17
    morpholine-4-carbaldehyde 2129.77
    sulfolane 2965.77
    2,2,4-trimethylpentane 15.62
    2-methyltetrahydrofuran 892.2
    n-hexyl acetate 437.06
    isooctane 10.24
    2-(2-butoxyethoxy)ethanol 557.56
    sec-butyl acetate 324.24
    tert-butyl acetate 361.0
    decalin 32.67
    glycerin 278.96
    diglyme 1306.86
    acrylic acid 661.9
    isopropyl myristate 154.18
    n-butyric acid 464.43
    acetyl acetate 509.51
    di(2-ethylhexyl) phthalate 168.91
    ethyl propionate 412.31
    nitromethane 3159.37
    1,2-diethoxyethane 679.44
    benzonitrile 820.05
    trioctyl phosphate 107.12
    1-bromopropane 326.51
    gamma-valerolactone 2206.07
    n-decanol 86.48
    triethyl phosphate 192.02
    4-methyl-2-pentanol 87.22
    propionitrile 514.28
    vinylene carbonate 929.37
    1,1,2-trichlorotrifluoroethane 1105.26
    DMS 563.71
    cumene 115.84
    2-octanol 76.39
    2-hexanone 599.93
    octyl acetate 204.08
    limonene 181.31
    1,2-dimethoxyethane 1121.68
    ethyl orthosilicate 168.05
    tributyl phosphate 174.51
    diacetone alcohol 407.17
    N,N-dimethylaniline 418.92
    acrylonitrile 1022.67
    aniline 485.35
    1,3-propanediol 297.15
    bromobenzene 704.89
    dibromomethane 877.43
    1,1,2,2-tetrachloroethane 1464.86
    2-methyl-cyclohexyl acetate 312.71
    tetrabutyl urea 259.68
    diisobutyl methanol 92.77
    2-phenylethanol 295.78
    styrene 308.24
    dioctyl adipate 283.11
    dimethyl sulfate 948.41
    ethyl butyrate 381.38
    methyl lactate 337.45
    butyl lactate 273.46
    diethyl carbonate 273.09
    propanediol butyl ether 374.91
    triethyl orthoformate 240.77
    p-tert-butyltoluene 102.41
    methyl 4-tert-butylbenzoate 381.54
    morpholine 1094.01
    tert-butylamine 145.85
    n-dodecanol 67.27
    dimethoxymethane 841.42
    ethylene carbonate 646.35
    cyrene 507.87
    2-ethoxyethyl acetate 578.12
    2-ethylhexyl acetate 332.07
    1,2,4-trichlorobenzene 776.03
    4-methylpyridine 1275.6
    dibutyl ether 230.83
    2,6-dimethyl-4-heptanol 92.77
    DEF 950.89
    dimethyl isosorbide 753.86
    tetrachloroethylene 904.25
    eugenol 378.13
    triacetin 586.56
    span 80 314.99
    1,4-butanediol 172.45
    1,1-dichloroethane 813.61
    2-methyl-1-pentanol 193.91
    methyl formate 1148.39
    2-methyl-1-butanol 182.92
    n-decane 15.19
    butyronitrile 403.69
    3,7-dimethyl-1-octanol 152.74
    1-chlorooctane 100.82
    1-chlorotetradecane 40.99
    n-nonane 14.31
    undecane 11.68
    tert-butylcyclohexane 26.36
    cyclooctane 14.58
    cyclopentanol 320.63
    tetrahydropyran 700.64
    tert-amyl methyl ether 261.14
    2,5,8-trioxanonane 805.48
    1-hexene 84.81
    2-isopropoxyethanol 382.25
    2,2,2-trifluoroethanol 368.2
    methyl butyrate 640.5

    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