2,5-Dimethyltetrahydrofuran-3-thiol

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  • Identifiers

    CAS number
    26486-21-5

    Molecular formula
    C6H12OS

    SMILES
    CC1CC(C(O1)C)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 86.9%
    Sulfurous 83.92%
    Roasted 75.0%
    Onion 59.01%
    Savory 54.52%
    Beefy 47.68%
    Cooked 42.23%
    Alliaceous 40.45%
    Burnt 37.15%
    Coffee 35.43%

     

    Flavor
    Sulfurous 53.73%
    Roasted 44.38%
    Meaty 32.79%
    Onion 31.92%
    Vegetable 30.44%
    Chicken 28.02%
    Sulfury 25.92%
    Tropical 23.79%
    Bouillon 23.5%
    Minty 23.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.41 (neutral)

    Molecular weight
    132.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 34.22 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 2,5-Dimethyltetrahydrofuran-3-thiol
    • 26486-21-5
    • 2,5-dimethyloxolane-3-thiol
    • 2,5-Dimethyl-3-mercaptotetrahydrofuran
    • FEMA No. 3971
    • 2,5-Dimethyl-3-tetrahydrofuranthiol
    • Tetrahydro-2,5-dimethylfuran-3-thiol
    • 3-Furanthiol, tetrahydro-2,5-dimethyl-
    • (Z+e)-2,5-Dimethyl-3-tetrahydrofuran thiol
    • DTXSID70949356
    • 5862WM787P
    • 2,5-Dimethyl-3-tetrahydrofuranthiol, cis and trans isomers
    • cis-and trans-2,5-Dimethyltetrahydrofuran-3-thiol (FIFH)
    • cis-and trans-2,5-Dimethyltetrahydrofuran-3-thiol [FIFH]
    • UNII-5862WM787P
    • SCHEMBL5176168
    • cis- and trans-2,5-Dimethyltetrahydrofuran-3-thiol [FIFH]
    • CHEBI:173352
    • DTXCID501377552
    • AKOS016011614
    • EN300-1288129
    • CIS-AND TRANS-2,5-DIMETHYLTETRAHYDROFURAN-3-THIOL
    • CIS-AND TRANS-2,5-DIMETHYLTETRAHYDROFURAN-3-THIOL [FHFI]

  • Applications

    2,5-Dimethyltetrahydrofuran-3-thiol (CAS 26486-21-5) is an organosulfur-containing heterocycle primarily used as an industrial chemical intermediate to enable introduction of thiol functionality into more complex molecules. In fragrance applications it is evaluated as an odorant note that may contribute sulfur-containing notes to perfumes, and it may be considered for flavor formulations under appropriate regulatory allowances. In polymer and plastics chemistry it can serve as a building block for sulfur-containing monomers or as a precursor for post-polymerization modification of polymers. In coatings and inks formulations, it may be used as a precursor enabling thiol-functionalization and crosslinking, thereby increasing formulation functionality. Overall, it is used as an industrial intermediate and building block for specialty chemicals under development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 952.1
    methanol 1225.83
    isopropanol 606.15
    water 45.46
    ethyl acetate 384.06
    n-propanol 651.13
    acetone 512.73
    n-butanol 563.82
    acetonitrile 465.49
    DMF 394.52
    toluene 214.98
    isobutanol 425.71
    1,4-dioxane 912.69
    methyl acetate 407.49
    THF 833.11
    2-butanone 409.86
    n-pentanol 374.54
    sec-butanol 480.21
    n-hexane 69.64
    ethylene glycol 377.89
    NMP 448.18
    cyclohexane 113.47
    DMSO 475.53
    n-butyl acetate 200.69
    n-octanol 196.2
    chloroform 1216.65
    n-propyl acetate 176.67
    acetic acid 765.71
    dichloromethane 927.06
    cyclohexanone 427.8
    propylene glycol 352.97
    isopropyl acetate 216.44
    DMAc 398.71
    2-ethoxyethanol 593.19
    isopentanol 380.72
    n-heptane 65.18
    ethyl formate 231.01
    1,2-dichloroethane 432.42
    n-hexanol 406.59
    2-methoxyethanol 867.76
    isobutyl acetate 127.07
    tetrachloromethane 305.06
    n-pentyl acetate 165.09
    transcutol 1214.84
    n-heptanol 194.91
    ethylbenzene 81.76
    MIBK 167.62
    2-propoxyethanol 647.58
    tert-butanol 545.19
    MTBE 349.45
    2-butoxyethanol 343.34
    propionic acid 422.92
    o-xylene 132.55
    formic acid 448.66
    diethyl ether 502.47
    m-xylene 135.75
    p-xylene 113.92
    chlorobenzene 249.53
    dimethyl carbonate 106.49
    n-octane 26.28
    formamide 412.84
    cyclopentanone 456.22
    2-pentanone 284.43
    anisole 212.92
    cyclopentyl methyl ether 366.86
    gamma-butyrolactone 486.51
    1-methoxy-2-propanol 565.57
    pyridine 431.15
    3-pentanone 237.11
    furfural 449.87
    n-dodecane 25.49
    diethylene glycol 611.59
    diisopropyl ether 128.42
    tert-amyl alcohol 392.94
    acetylacetone 304.05
    n-hexadecane 27.67
    acetophenone 165.44
    methyl propionate 262.83
    isopentyl acetate 171.47
    trichloroethylene 669.43
    n-nonanol 172.88
    cyclohexanol 396.21
    benzyl alcohol 213.38
    2-ethylhexanol 191.37
    isooctanol 141.91
    dipropyl ether 201.27
    1,2-dichlorobenzene 207.98
    ethyl lactate 115.83
    propylene carbonate 242.58
    n-methylformamide 338.3
    2-pentanol 328.15
    n-pentane 96.84
    1-propoxy-2-propanol 380.46
    1-methoxy-2-propyl acetate 249.9
    2-(2-methoxypropoxy) propanol 280.6
    mesitylene 83.06
    ε-caprolactone 371.67
    p-cymene 81.64
    epichlorohydrin 537.79
    1,1,1-trichloroethane 478.51
    2-aminoethanol 548.4
    morpholine-4-carbaldehyde 590.07
    sulfolane 395.82
    2,2,4-trimethylpentane 42.0
    2-methyltetrahydrofuran 618.71
    n-hexyl acetate 242.08
    isooctane 30.75
    2-(2-butoxyethoxy)ethanol 385.3
    sec-butyl acetate 129.6
    tert-butyl acetate 198.3
    decalin 43.22
    glycerin 464.15
    diglyme 624.43
    acrylic acid 360.24
    isopropyl myristate 104.89
    n-butyric acid 429.84
    acetyl acetate 267.8
    di(2-ethylhexyl) phthalate 105.17
    ethyl propionate 143.21
    nitromethane 602.71
    1,2-diethoxyethane 373.88
    benzonitrile 218.68
    trioctyl phosphate 77.09
    1-bromopropane 337.82
    gamma-valerolactone 582.18
    n-decanol 126.53
    triethyl phosphate 86.48
    4-methyl-2-pentanol 172.7
    propionitrile 318.6
    vinylene carbonate 234.35
    1,1,2-trichlorotrifluoroethane 448.2
    DMS 170.27
    cumene 69.41
    2-octanol 122.97
    2-hexanone 200.66
    octyl acetate 132.47
    limonene 122.66
    1,2-dimethoxyethane 563.48
    ethyl orthosilicate 91.77
    tributyl phosphate 91.14
    diacetone alcohol 250.13
    N,N-dimethylaniline 138.66
    acrylonitrile 304.12
    aniline 309.97
    1,3-propanediol 570.49
    bromobenzene 244.16
    dibromomethane 644.2
    1,1,2,2-tetrachloroethane 559.3
    2-methyl-cyclohexyl acetate 137.75
    tetrabutyl urea 106.11
    diisobutyl methanol 106.56
    2-phenylethanol 222.89
    styrene 105.93
    dioctyl adipate 135.12
    dimethyl sulfate 141.91
    ethyl butyrate 144.2
    methyl lactate 169.51
    butyl lactate 134.95
    diethyl carbonate 102.28
    propanediol butyl ether 293.36
    triethyl orthoformate 123.14
    p-tert-butyltoluene 83.65
    methyl 4-tert-butylbenzoate 170.99
    morpholine 826.69
    tert-butylamine 369.3
    n-dodecanol 100.75
    dimethoxymethane 374.93
    ethylene carbonate 200.99
    cyrene 211.6
    2-ethoxyethyl acetate 253.42
    2-ethylhexyl acetate 142.18
    1,2,4-trichlorobenzene 269.17
    4-methylpyridine 365.11
    dibutyl ether 170.71
    2,6-dimethyl-4-heptanol 106.56
    DEF 276.61
    dimethyl isosorbide 348.3
    tetrachloroethylene 443.96
    eugenol 182.01
    triacetin 227.14
    span 80 240.59
    1,4-butanediol 288.21
    1,1-dichloroethane 517.46
    2-methyl-1-pentanol 274.53
    methyl formate 229.3
    2-methyl-1-butanol 377.59
    n-decane 40.37
    butyronitrile 308.88
    3,7-dimethyl-1-octanol 177.39
    1-chlorooctane 116.89
    1-chlorotetradecane 55.48
    n-nonane 39.01
    undecane 30.73
    tert-butylcyclohexane 43.71
    cyclooctane 41.55
    cyclopentanol 432.12
    tetrahydropyran 624.16
    tert-amyl methyl ether 256.43
    2,5,8-trioxanonane 453.36
    1-hexene 164.2
    2-isopropoxyethanol 393.11
    2,2,2-trifluoroethanol 308.69
    methyl butyrate 168.05

    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