Furfuryl 3-mercaptopropionate

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  • Identifiers

    CAS number
    93859-19-9

    Molecular formula
    C8H10O3S

    SMILES
    C1=COC(=C1)COC(=O)CCS

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 81.14%
    Roasted 67.5%
    Meaty 66.04%
    Coffee 53.81%
    Savory 46.5%
    Burnt 38.36%
    Cheesy 37.17%
    Cooked 37.01%
    Onion 36.28%
    Nutty 35.17%

     

    Flavor
    Fruity 61.1%
    Sweet 47.73%
    Coffee 39.66%
    Fatty 38.5%
    Sulfury 32.94%
    Caramel 32.13%
    Grape 29.64%
    Creamy 28.1%
    Oily 27.89%
    Pineapple 27.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.77 (neutral)

    Molecular weight
    186.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 111.34 ˚C est.

  • Synonyms

    • Furfuryl 3-mercaptopropionate
    • 93859-19-9
    • furan-2-ylmethyl 3-sulfanylpropanoate
    • (furan-2-yl)methyl 3-sulfanylpropanoate
    • Furan-2-ylmethyl 3-mercaptopropanoate
    • EINECS 299-355-4
    • YNA5NJ6GRJ
    • SCHEMBL22982168
    • DTXSID50239808
    • XUNHWOASMZRMOC-UHFFFAOYSA-N
    • 2-Furanylmethyl 3-mercaptopropanoate
    • AKOS025149593
    • DB-351672
    • NS00039703
    • Propanoic acid, 3-mercapto-, 2-furanylmethyl ester
    • 93859-19-9

  • Applications

    Furfuryl 3-mercaptopropionate (CAS 93859-19-9) is used as an intermediate and functional building block to prepare furfuryl-functional monomers for bio-based polymers and resins. It serves as a thiol-containing crosslinker in thiol-ene and related polymerization schemes, enabling UV- or heat-cured coatings, adhesives, and inks. It can be employed as a functional modifier to introduce furfuryl groups into polymer networks and composites, aiding reactivity and adhesion. It is also explored as a precursor for specialty polymer formulations and furans-containing materials in coatings and adhesives, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.83
    methanol 326.86
    isopropanol 84.0
    water 5.75
    ethyl acetate 80.21
    n-propanol 75.97
    acetone 231.46
    n-butanol 66.03
    acetonitrile 212.4
    DMF 453.38
    toluene 43.06
    isobutanol 58.58
    1,4-dioxane 274.32
    methyl acetate 161.14
    THF 219.08
    2-butanone 147.39
    n-pentanol 71.4
    sec-butanol 70.95
    n-hexane 2.15
    ethylene glycol 82.18
    NMP 235.61
    cyclohexane 6.23
    DMSO 625.7
    n-butyl acetate 49.16
    n-octanol 36.22
    chloroform 206.12
    n-propyl acetate 71.24
    acetic acid 263.23
    dichloromethane 267.75
    cyclohexanone 159.23
    propylene glycol 56.41
    isopropyl acetate 45.49
    DMAc 651.32
    2-ethoxyethanol 237.26
    isopentanol 73.21
    n-heptane 2.63
    ethyl formate 80.1
    1,2-dichloroethane 153.63
    n-hexanol 39.61
    2-methoxyethanol 297.18
    isobutyl acetate 46.46
    tetrachloromethane 12.47
    n-pentyl acetate 34.36
    transcutol 599.3
    n-heptanol 26.57
    ethylbenzene 35.08
    MIBK 58.05
    2-propoxyethanol 105.65
    tert-butanol 124.91
    MTBE 80.55
    2-butoxyethanol 76.04
    propionic acid 90.05
    o-xylene 41.67
    formic acid 183.68
    diethyl ether 61.22
    m-xylene 29.34
    p-xylene 54.8
    chlorobenzene 66.34
    dimethyl carbonate 59.85
    n-octane 1.9
    formamide 318.63
    cyclopentanone 146.55
    2-pentanone 72.36
    anisole 112.59
    cyclopentyl methyl ether 64.86
    gamma-butyrolactone 169.6
    1-methoxy-2-propanol 151.84
    pyridine 232.93
    3-pentanone 70.58
    furfural 245.27
    n-dodecane 3.05
    diethylene glycol 151.1
    diisopropyl ether 15.32
    tert-amyl alcohol 104.58
    acetylacetone 131.1
    n-hexadecane 3.38
    acetophenone 120.49
    methyl propionate 76.88
    isopentyl acetate 47.88
    trichloroethylene 291.9
    n-nonanol 33.47
    cyclohexanol 66.13
    benzyl alcohol 109.94
    2-ethylhexanol 30.05
    isooctanol 25.1
    dipropyl ether 26.15
    1,2-dichlorobenzene 64.51
    ethyl lactate 49.51
    propylene carbonate 84.22
    n-methylformamide 167.14
    2-pentanol 40.47
    n-pentane 1.86
    1-propoxy-2-propanol 64.18
    1-methoxy-2-propyl acetate 62.36
    2-(2-methoxypropoxy) propanol 120.47
    mesitylene 18.96
    ε-caprolactone 112.76
    p-cymene 18.29
    epichlorohydrin 217.89
    1,1,1-trichloroethane 77.26
    2-aminoethanol 106.19
    morpholine-4-carbaldehyde 355.43
    sulfolane 214.85
    2,2,4-trimethylpentane 3.36
    2-methyltetrahydrofuran 116.33
    n-hexyl acetate 54.84
    isooctane 1.9
    2-(2-butoxyethoxy)ethanol 148.25
    sec-butyl acetate 46.44
    tert-butyl acetate 54.21
    decalin 5.57
    glycerin 113.36
    diglyme 296.42
    acrylic acid 116.79
    isopropyl myristate 27.29
    n-butyric acid 78.09
    acetyl acetate 70.45
    di(2-ethylhexyl) phthalate 37.34
    ethyl propionate 54.25
    nitromethane 435.01
    1,2-diethoxyethane 106.2
    benzonitrile 109.29
    trioctyl phosphate 21.84
    1-bromopropane 47.6
    gamma-valerolactone 241.99
    n-decanol 26.22
    triethyl phosphate 34.42
    4-methyl-2-pentanol 31.71
    propionitrile 94.47
    vinylene carbonate 102.41
    1,1,2-trichlorotrifluoroethane 201.48
    DMS 69.79
    cumene 23.32
    2-octanol 20.46
    2-hexanone 77.54
    octyl acetate 34.61
    limonene 24.98
    1,2-dimethoxyethane 336.77
    ethyl orthosilicate 31.62
    tributyl phosphate 29.53
    diacetone alcohol 91.65
    N,N-dimethylaniline 88.34
    acrylonitrile 162.27
    aniline 81.53
    1,3-propanediol 126.59
    bromobenzene 59.48
    dibromomethane 123.0
    1,1,2,2-tetrachloroethane 194.35
    2-methyl-cyclohexyl acetate 48.21
    tetrabutyl urea 49.46
    diisobutyl methanol 20.74
    2-phenylethanol 60.37
    styrene 49.25
    dioctyl adipate 52.78
    dimethyl sulfate 120.98
    ethyl butyrate 44.6
    methyl lactate 61.16
    butyl lactate 39.78
    diethyl carbonate 39.44
    propanediol butyl ether 90.67
    triethyl orthoformate 37.27
    p-tert-butyltoluene 16.15
    methyl 4-tert-butylbenzoate 72.33
    morpholine 257.65
    tert-butylamine 59.69
    n-dodecanol 21.69
    dimethoxymethane 183.41
    ethylene carbonate 75.83
    cyrene 120.97
    2-ethoxyethyl acetate 66.81
    2-ethylhexyl acetate 38.92
    1,2,4-trichlorobenzene 91.13
    4-methylpyridine 180.24
    dibutyl ether 38.82
    2,6-dimethyl-4-heptanol 20.74
    DEF 150.69
    dimethyl isosorbide 134.7
    tetrachloroethylene 120.41
    eugenol 87.41
    triacetin 93.05
    span 80 77.83
    1,4-butanediol 73.91
    1,1-dichloroethane 101.25
    2-methyl-1-pentanol 72.88
    methyl formate 131.73
    2-methyl-1-butanol 61.55
    n-decane 4.18
    butyronitrile 75.9
    3,7-dimethyl-1-octanol 37.24
    1-chlorooctane 18.2
    1-chlorotetradecane 9.53
    n-nonane 3.28
    undecane 3.46
    tert-butylcyclohexane 4.4
    cyclooctane 2.28
    cyclopentanol 62.78
    tetrahydropyran 127.49
    tert-amyl methyl ether 64.49
    2,5,8-trioxanonane 233.36
    1-hexene 14.09
    2-isopropoxyethanol 132.98
    2,2,2-trifluoroethanol 93.44
    methyl butyrate 83.38

    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