Furfuryl isopropyl sulfide

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  • Identifiers

    CAS number
    1883-78-9

    Molecular formula
    C8H12OS

    SMILES
    CC(C)SCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 68.08%
    Roasted 66.85%
    Meaty 65.1%
    Coffee 62.83%
    Onion 56.92%
    Floral 54.72%
    Savory 48.69%
    Garlic 44.47%
    Alliaceous 43.89%
    Burnt 43.86%

     

    Flavor
    Sulfury 56.86%
    Meaty 53.13%
    Roasted 52.01%
    Sulfurous 47.55%
    Onion 47.1%
    Green 42.7%
    Vegetable 39.04%
    Burnt 36.68%
    Coffee 34.96%
    Metallic 32.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.55 (weak acid)

    Molecular weight
    156.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 79.00 to 80.00 °C. @ 12.00 mm Hg

    Flash point

    • 69.19 ˚C est.

    Solubility expt.

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

  • Synonyms

    • FURFURYL ISOPROPYL SULFIDE
    • 1883-78-9
    • 2-((Isopropylthio)methyl)furan
    • Isopropyl furfuryl sulfide
    • 2-(propan-2-ylsulfanylmethyl)furan
    • Furan, 2-[[(1-methylethyl)thio]methyl]-
    • FEMA No. 3161
    • 2-(((1-Methylethyl)thio)methyl)furan
    • Furan, 2-(((1-methylethyl)thio)methyl)-
    • Furan, 2-((isopropylthio)methyl)-
    • 5OTT266RL5
    • 2-[(Isopropylthio)methyl]furan
    • DTXSID5047665
    • Furan, 2-[(isopropylthio)methyl]-
    • 2-[(propan-2-ylsulfanyl)methyl]furan
    • 2-[[(1-Methylethyl)thio]methyl]furan
    • DTXCID3027665
    • FURFURYL ISOPROPYL SULFIDE [FHFI]
    • Furfurylisopropylsulfide
    • UNII-5OTT266RL5
    • MFCD00040265
    • 2-(Isopropylthiomethyl)furan
    • 2-Furylmethyl isopropyl sulfide
    • SCHEMBL1532559
    • CHEMBL3182667
    • FEMA 3161
    • 2-(propan-2-ylsulanylmethyl)uran
    • CHEBI:186880
    • 2-Furylmethyl isopropyl sulfide #
    • Furfuryl isopropyl sulfide, >=98%
    • Tox21_303491
    • Furan, 2-(1-methylethyl)thiomethyl-
    • AKOS015897432
    • CS-W017994
    • SB61022
    • NCGC00257404-01
    • AS-64025
    • CAS-1883-78-9
    • DB-003670
    • F0742
    • NS00021793
    • 2-[[(1-Methylethyl)thio]methyl]furan, 9CI
    • D90686
    • Q27262661
    • 606-138-3
    • 917-717-8

  • Applications

    Furfuryl isopropyl sulfide (CAS 1883-78-9) is used as a fragrance ingredient and odorant in perfumery and cosmetics, with potential for inclusion in personal care products; it is also evaluated as an intermediate in the synthesis of sulfur-containing furans for industrial chemistry; it may be encountered in polymer and plastics systems based on furfural as a precursor or functional additive; and in coatings and inks it can appear as a fragrance component or odor-modifying additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 703.39
    methanol 460.65
    isopropanol 575.21
    water 1.36
    ethyl acetate 499.79
    n-propanol 583.73
    acetone 775.79
    n-butanol 524.26
    acetonitrile 498.76
    DMF 965.71
    toluene 519.19
    isobutanol 454.06
    1,4-dioxane 1232.42
    methyl acetate 562.05
    THF 1299.16
    2-butanone 695.02
    n-pentanol 358.85
    sec-butanol 506.4
    n-hexane 70.07
    ethylene glycol 200.34
    NMP 533.79
    cyclohexane 233.28
    DMSO 960.25
    n-butyl acetate 470.54
    n-octanol 314.05
    chloroform 1741.73
    n-propyl acetate 309.48
    acetic acid 416.47
    dichloromethane 1301.81
    cyclohexanone 922.35
    propylene glycol 407.57
    isopropyl acetate 270.02
    DMAc 717.73
    2-ethoxyethanol 493.09
    isopentanol 406.65
    n-heptane 119.57
    ethyl formate 375.2
    1,2-dichloroethane 658.66
    n-hexanol 586.2
    2-methoxyethanol 784.46
    isobutyl acetate 219.93
    tetrachloromethane 262.42
    n-pentyl acetate 260.04
    transcutol 1348.82
    n-heptanol 254.27
    ethylbenzene 245.14
    MIBK 288.26
    2-propoxyethanol 742.3
    tert-butanol 629.06
    MTBE 399.94
    2-butoxyethanol 352.43
    propionic acid 444.22
    o-xylene 286.72
    formic acid 97.64
    diethyl ether 389.62
    m-xylene 289.86
    p-xylene 313.39
    chlorobenzene 521.0
    dimethyl carbonate 183.61
    n-octane 47.34
    formamide 159.02
    cyclopentanone 891.38
    2-pentanone 491.36
    anisole 437.1
    cyclopentyl methyl ether 551.04
    gamma-butyrolactone 775.17
    1-methoxy-2-propanol 678.65
    pyridine 1022.67
    3-pentanone 379.89
    furfural 769.79
    n-dodecane 47.03
    diethylene glycol 548.54
    diisopropyl ether 127.54
    tert-amyl alcohol 468.23
    acetylacetone 504.86
    n-hexadecane 54.06
    acetophenone 383.02
    methyl propionate 424.43
    isopentyl acetate 372.69
    trichloroethylene 1343.99
    n-nonanol 275.57
    cyclohexanol 597.83
    benzyl alcohol 380.88
    2-ethylhexanol 358.31
    isooctanol 191.37
    dipropyl ether 361.77
    1,2-dichlorobenzene 404.83
    ethyl lactate 198.18
    propylene carbonate 482.96
    n-methylformamide 403.0
    2-pentanol 345.18
    n-pentane 79.25
    1-propoxy-2-propanol 611.62
    1-methoxy-2-propyl acetate 450.76
    2-(2-methoxypropoxy) propanol 403.21
    mesitylene 173.47
    ε-caprolactone 673.04
    p-cymene 196.57
    epichlorohydrin 860.41
    1,1,1-trichloroethane 731.53
    2-aminoethanol 365.05
    morpholine-4-carbaldehyde 853.7
    sulfolane 796.8
    2,2,4-trimethylpentane 44.49
    2-methyltetrahydrofuran 866.87
    n-hexyl acetate 405.98
    isooctane 36.79
    2-(2-butoxyethoxy)ethanol 530.77
    sec-butyl acetate 215.75
    tert-butyl acetate 282.29
    decalin 85.99
    glycerin 394.27
    diglyme 854.49
    acrylic acid 355.6
    isopropyl myristate 188.46
    n-butyric acid 534.38
    acetyl acetate 297.7
    di(2-ethylhexyl) phthalate 187.73
    ethyl propionate 260.13
    nitromethane 609.93
    1,2-diethoxyethane 495.6
    benzonitrile 533.61
    trioctyl phosphate 137.57
    1-bromopropane 448.96
    gamma-valerolactone 1069.4
    n-decanol 215.18
    triethyl phosphate 154.27
    4-methyl-2-pentanol 190.19
    propionitrile 479.27
    vinylene carbonate 509.53
    1,1,2-trichlorotrifluoroethane 632.47
    DMS 318.97
    cumene 161.39
    2-octanol 196.21
    2-hexanone 342.86
    octyl acetate 242.59
    limonene 279.08
    1,2-dimethoxyethane 716.07
    ethyl orthosilicate 151.95
    tributyl phosphate 161.91
    diacetone alcohol 386.77
    N,N-dimethylaniline 278.99
    acrylonitrile 535.56
    aniline 523.26
    1,3-propanediol 483.18
    bromobenzene 582.89
    dibromomethane 910.83
    1,1,2,2-tetrachloroethane 1027.4
    2-methyl-cyclohexyl acetate 279.18
    tetrabutyl urea 224.8
    diisobutyl methanol 195.2
    2-phenylethanol 440.79
    styrene 320.63
    dioctyl adipate 254.45
    dimethyl sulfate 242.17
    ethyl butyrate 301.26
    methyl lactate 262.1
    butyl lactate 249.87
    diethyl carbonate 207.57
    propanediol butyl ether 460.27
    triethyl orthoformate 235.74
    p-tert-butyltoluene 195.42
    methyl 4-tert-butylbenzoate 315.05
    morpholine 1256.15
    tert-butylamine 395.46
    n-dodecanol 174.66
    dimethoxymethane 545.4
    ethylene carbonate 420.42
    cyrene 331.05
    2-ethoxyethyl acetate 372.22
    2-ethylhexyl acetate 311.21
    1,2,4-trichlorobenzene 515.15
    4-methylpyridine 890.66
    dibutyl ether 298.62
    2,6-dimethyl-4-heptanol 195.2
    DEF 443.37
    dimethyl isosorbide 530.2
    tetrachloroethylene 629.69
    eugenol 311.94
    triacetin 404.76
    span 80 429.52
    1,4-butanediol 233.87
    1,1-dichloroethane 767.35
    2-methyl-1-pentanol 286.97
    methyl formate 325.66
    2-methyl-1-butanol 386.66
    n-decane 72.45
    butyronitrile 516.15
    3,7-dimethyl-1-octanol 308.83
    1-chlorooctane 213.57
    1-chlorotetradecane 100.32
    n-nonane 70.58
    undecane 56.73
    tert-butylcyclohexane 71.0
    cyclooctane 74.06
    cyclopentanol 573.8
    tetrahydropyran 1126.04
    tert-amyl methyl ether 299.92
    2,5,8-trioxanonane 613.84
    1-hexene 232.02
    2-isopropoxyethanol 361.39
    2,2,2-trifluoroethanol 137.8
    methyl butyrate 336.21

    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