Furfuryl thiopropionate

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  • Identifiers

    CAS number
    59020-85-8

    Molecular formula
    C8H10O2S

    SMILES
    CCC(=O)SCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 80.11%
    Coffee 65.17%
    Roasted 64.88%
    Meaty 56.85%
    Onion 54.81%
    Alliaceous 54.81%
    Garlic 52.89%
    Savory 49.56%
    Nutty 47.23%
    Vegetable 45.28%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    170.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 95.00 to 97.00 °C. @ 10.00 mm Hg

    Flash point est.
    91.46 ˚C

    Solubility expt.

    • Insoluble in water,soluble in organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Furfuryl thiopropionate
    • 59020-85-8
    • S-Furfuryl thiopropionate
    • S-(furan-2-ylmethyl) propanethioate
    • Propanethioic acid, S-(2-furanylmethyl) ester
    • S-Furfuryl propanethioate
    • Furfurylthiol propionate
    • S-(2-Furanylmethyl) propanethioate
    • S-(2-Furylmethyl) propanethioate
    • FEMA No. 3347
    • U05MDN4A54
    • DTXSID3069300
    • EINECS 261-562-2
    • FURFURYL THIOPROPIONATE [FHFI]
    • 1-[(furan-2-ylmethyl)sulfanyl]propan-1-one
    • 1-((furan-2-ylmethyl)sulfanyl)propan-1-one
    • MFCD00040264
    • UNII-U05MDN4A54
    • SCHEMBL1532547
    • DTXCID6042523
    • FEMA 3347
    • Furfuryl thiopropionate, >=98%
    • CHEBI:173777
    • S-(uran-2-ylmethyl) propanethioate
    • Thiopropionic Acid S-Furfuryl Ester
    • S-(2-Furylmethyl) propanethioate #
    • AKOS024375454
    • SB60968
    • AS-62200
    • CS-0152636
    • F0578
    • NS00022442
    • D90683
    • Q27290509
    • 261-562-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 358.03
    methanol 602.0
    isopropanol 213.59
    water 4.16
    ethyl acetate 459.61
    n-propanol 216.56
    acetone 498.79
    n-butanol 220.91
    acetonitrile 613.28
    DMF 877.44
    toluene 317.94
    isobutanol 177.0
    1,4-dioxane 1105.27
    methyl acetate 570.44
    THF 647.58
    2-butanone 484.68
    n-pentanol 178.13
    sec-butanol 206.27
    n-hexane 8.03
    ethylene glycol 120.55
    NMP 675.25
    cyclohexane 34.26
    DMSO 871.96
    n-butyl acetate 251.31
    n-octanol 98.79
    chloroform 1144.48
    n-propyl acetate 266.91
    acetic acid 447.35
    dichloromethane 1142.48
    cyclohexanone 642.65
    propylene glycol 104.74
    isopropyl acetate 239.94
    DMAc 1146.8
    2-ethoxyethanol 499.49
    isopentanol 229.15
    n-heptane 12.08
    ethyl formate 316.9
    1,2-dichloroethane 579.37
    n-hexanol 135.2
    2-methoxyethanol 650.31
    isobutyl acetate 177.03
    tetrachloromethane 109.45
    n-pentyl acetate 151.24
    transcutol 1538.94
    n-heptanol 80.36
    ethylbenzene 157.5
    MIBK 198.38
    2-propoxyethanol 340.11
    tert-butanol 322.78
    MTBE 312.61
    2-butoxyethanol 210.41
    propionic acid 269.06
    o-xylene 207.03
    formic acid 238.96
    diethyl ether 273.88
    m-xylene 162.44
    p-xylene 217.73
    chlorobenzene 414.78
    dimethyl carbonate 204.73
    n-octane 7.33
    formamide 476.83
    cyclopentanone 551.13
    2-pentanone 294.3
    anisole 468.06
    cyclopentyl methyl ether 284.17
    gamma-butyrolactone 621.11
    1-methoxy-2-propanol 358.79
    pyridine 897.06
    3-pentanone 294.36
    furfural 896.71
    n-dodecane 10.58
    diethylene glycol 339.9
    diisopropyl ether 72.56
    tert-amyl alcohol 274.03
    acetylacetone 479.16
    n-hexadecane 12.23
    acetophenone 446.82
    methyl propionate 326.01
    isopentyl acetate 232.48
    trichloroethylene 1248.99
    n-nonanol 92.36
    cyclohexanol 253.69
    benzyl alcohol 353.11
    2-ethylhexanol 104.41
    isooctanol 73.75
    dipropyl ether 108.48
    1,2-dichlorobenzene 378.5
    ethyl lactate 124.63
    propylene carbonate 365.53
    n-methylformamide 392.74
    2-pentanol 134.25
    n-pentane 9.85
    1-propoxy-2-propanol 205.98
    1-methoxy-2-propyl acetate 285.5
    2-(2-methoxypropoxy) propanol 304.22
    mesitylene 95.92
    ε-caprolactone 493.74
    p-cymene 80.2
    epichlorohydrin 842.31
    1,1,1-trichloroethane 494.91
    2-aminoethanol 201.6
    morpholine-4-carbaldehyde 1117.96
    sulfolane 687.73
    2,2,4-trimethylpentane 14.3
    2-methyltetrahydrofuran 485.84
    n-hexyl acetate 222.29
    isooctane 8.82
    2-(2-butoxyethoxy)ethanol 395.43
    sec-butyl acetate 185.38
    tert-butyl acetate 251.66
    decalin 27.92
    glycerin 183.7
    diglyme 788.68
    acrylic acid 269.81
    isopropyl myristate 98.31
    n-butyric acid 339.25
    acetyl acetate 331.85
    di(2-ethylhexyl) phthalate 108.55
    ethyl propionate 223.04
    nitromethane 977.69
    1,2-diethoxyethane 448.52
    benzonitrile 480.46
    trioctyl phosphate 64.83
    1-bromopropane 233.14
    gamma-valerolactone 946.93
    n-decanol 69.63
    triethyl phosphate 117.88
    4-methyl-2-pentanol 90.22
    propionitrile 370.44
    vinylene carbonate 434.51
    1,1,2-trichlorotrifluoroethane 532.46
    DMS 288.64
    cumene 96.79
    2-octanol 63.82
    2-hexanone 256.6
    octyl acetate 117.41
    limonene 110.17
    1,2-dimethoxyethane 843.38
    ethyl orthosilicate 114.15
    tributyl phosphate 93.98
    diacetone alcohol 272.02
    N,N-dimethylaniline 294.94
    acrylonitrile 532.13
    aniline 363.68
    1,3-propanediol 300.66
    bromobenzene 439.79
    dibromomethane 585.91
    1,1,2,2-tetrachloroethane 831.46
    2-methyl-cyclohexyl acetate 176.14
    tetrabutyl urea 134.73
    diisobutyl methanol 69.57
    2-phenylethanol 225.56
    styrene 243.74
    dioctyl adipate 160.09
    dimethyl sulfate 336.88
    ethyl butyrate 198.03
    methyl lactate 164.48
    butyl lactate 128.5
    diethyl carbonate 161.33
    propanediol butyl ether 211.8
    triethyl orthoformate 150.32
    p-tert-butyltoluene 73.37
    methyl 4-tert-butylbenzoate 237.24
    morpholine 953.33
    tert-butylamine 189.85
    n-dodecanol 55.99
    dimethoxymethane 457.28
    ethylene carbonate 344.45
    cyrene 295.32
    2-ethoxyethyl acetate 305.04
    2-ethylhexyl acetate 189.75
    1,2,4-trichlorobenzene 465.91
    4-methylpyridine 818.89
    dibutyl ether 141.63
    2,6-dimethyl-4-heptanol 69.57
    DEF 475.06
    dimethyl isosorbide 446.31
    tetrachloroethylene 527.04
    eugenol 254.93
    triacetin 311.59
    span 80 201.78
    1,4-butanediol 133.73
    1,1-dichloroethane 521.49
    2-methyl-1-pentanol 190.8
    methyl formate 346.12
    2-methyl-1-butanol 198.62
    n-decane 14.85
    butyronitrile 343.51
    3,7-dimethyl-1-octanol 112.79
    1-chlorooctane 71.35
    1-chlorotetradecane 34.75
    n-nonane 12.05
    undecane 12.17
    tert-butylcyclohexane 23.02
    cyclooctane 10.81
    cyclopentanol 212.6
    tetrahydropyran 557.8
    tert-amyl methyl ether 237.04
    2,5,8-trioxanonane 596.92
    1-hexene 56.66
    2-isopropoxyethanol 302.45
    2,2,2-trifluoroethanol 179.94
    methyl butyrate 322.2

    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