2-Methyltetrahydrothiophene

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  • Identifiers

    CAS number
    1795-09-1

    Molecular formula
    C5H10S

    SMILES
    CC1CCCS1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 85.12%
    Alliaceous 63.12%
    Onion 61.86%
    Garlic 55.81%
    Meaty 47.05%
    Vegetable 43.26%
    Savory 39.56%
    Tropical 36.99%
    Burnt 27.37%
    Roasted 26.47%

     

    Flavor
    Sulfurous 52.65%
    Onion 36.19%
    Green 35.51%
    Alliaceous 34.5%
    Vegetable 32.39%
    Garlic 31.14%
    Roasted 29.37%
    Fishy 26.43%
    Sulfur 25.89%
    Tropical 25.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.27 (neutral)

    Molecular weight
    102.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point

    • 27.69 ˚C est.

  • Synonyms

    • 2-Methyltetrahydrothiophene
    • 1795-09-1
    • 2-Methylthiolane
    • Thiophene, tetrahydro-2-methyl-
    • 2-Methylthiacyclopentane
    • 2-Methylthiophane
    • TETRAHYDRO-2-METHYLTHIOPHENE
    • UNII-K290J6114Q
    • EINECS 217-270-2
    • K290J6114Q
    • Tetrahydrothiophene, 2-methyl-
    • (+/-)-2-METHYLTHIOLANE
    • 2-METHYLTETRAHYDROTHIOPHENE, (+/-)-
    • Thiophene, tetrahydromethyl-
    • 2-methylthi-olane
    • MFCD00015539
    • SCHEMBL78266
    • 2-methyl-tetrahydro-thiophene
    • DTXSID20870909
    • TD8134
    • AKOS006229802
    • AS-54716
    • B0257
    • NS00047176
    • Q27281846
    • 2-methylthia-cyclopentane;2-Methylthiolane;2-Methylthiophane;etrahydrothiophene, 2-methyl-;methyltetrahydrothiophene;Tetrahydro-2-methylthiophene

  • Applications

    2-Methyltetrahydrothiophene (CAS 1795-09-1) is primarily used as an organic synthesis intermediate for preparing sulfur-containing compounds, supporting the production of pharmaceuticals, agrochemicals, and other fine chemicals. It is also employed as a building block in polymer and materials chemistry to enable sulfur-containing polymers and functional materials. In fragrance research, the compound is evaluated as a potential odorant or aroma-contributing component for developing new fragrances and for synthesis of aroma-related compounds. Additionally, it may serve as a precursor or building block in synthesis sequences within the specialty chemicals sector, with usage depending on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 754.69
    methanol 426.29
    isopropanol 585.86
    water 0.75
    ethyl acetate 1497.9
    n-propanol 702.14
    acetone 1032.0
    n-butanol 790.21
    acetonitrile 820.46
    DMF 482.29
    toluene 774.99
    isobutanol 479.89
    1,4-dioxane 1647.19
    methyl acetate 985.46
    THF 2278.79
    2-butanone 1078.44
    n-pentanol 465.98
    sec-butanol 648.05
    n-hexane 182.96
    ethylene glycol 134.96
    NMP 584.48
    cyclohexane 415.4
    DMSO 651.92
    n-butyl acetate 1594.47
    n-octanol 446.4
    chloroform 2705.95
    n-propyl acetate 693.39
    acetic acid 649.32
    dichloromethane 1774.55
    cyclohexanone 1338.64
    propylene glycol 262.44
    isopropyl acetate 834.06
    DMAc 536.28
    2-ethoxyethanol 625.27
    isopentanol 605.17
    n-heptane 366.31
    ethyl formate 616.64
    1,2-dichloroethane 1038.22
    n-hexanol 994.51
    2-methoxyethanol 897.67
    isobutyl acetate 414.77
    tetrachloromethane 617.53
    n-pentyl acetate 619.93
    transcutol 2543.87
    n-heptanol 460.86
    ethylbenzene 277.35
    MIBK 591.54
    2-propoxyethanol 1240.52
    tert-butanol 698.71
    MTBE 880.52
    2-butoxyethanol 714.36
    propionic acid 637.62
    o-xylene 374.71
    formic acid 128.41
    diethyl ether 1239.83
    m-xylene 459.66
    p-xylene 316.76
    chlorobenzene 839.1
    dimethyl carbonate 295.29
    n-octane 111.47
    formamide 209.77
    cyclopentanone 1334.74
    2-pentanone 1014.04
    anisole 589.96
    cyclopentyl methyl ether 1082.62
    gamma-butyrolactone 1221.95
    1-methoxy-2-propanol 827.42
    pyridine 1398.24
    3-pentanone 762.81
    furfural 1119.54
    n-dodecane 77.48
    diethylene glycol 694.47
    diisopropyl ether 458.19
    tert-amyl alcohol 626.76
    acetylacetone 1010.57
    n-hexadecane 88.44
    acetophenone 447.48
    methyl propionate 805.92
    isopentyl acetate 1020.42
    trichloroethylene 1984.36
    n-nonanol 402.55
    cyclohexanol 681.79
    benzyl alcohol 399.26
    2-ethylhexanol 707.84
    isooctanol 342.85
    dipropyl ether 1136.61
    1,2-dichlorobenzene 644.87
    ethyl lactate 264.14
    propylene carbonate 839.13
    n-methylformamide 346.87
    2-pentanol 634.77
    n-pentane 243.96
    1-propoxy-2-propanol 1160.52
    1-methoxy-2-propyl acetate 1119.93
    2-(2-methoxypropoxy) propanol 559.97
    mesitylene 290.81
    ε-caprolactone 1165.21
    p-cymene 338.31
    epichlorohydrin 1328.9
    1,1,1-trichloroethane 1380.7
    2-aminoethanol 296.4
    morpholine-4-carbaldehyde 900.76
    sulfolane 918.47
    2,2,4-trimethylpentane 113.59
    2-methyltetrahydrofuran 1582.01
    n-hexyl acetate 719.4
    isooctane 106.21
    2-(2-butoxyethoxy)ethanol 869.27
    sec-butyl acetate 502.53
    tert-butyl acetate 841.14
    decalin 131.65
    glycerin 320.43
    diglyme 1455.02
    acrylic acid 431.72
    isopropyl myristate 331.11
    n-butyric acid 1104.18
    acetyl acetate 905.92
    di(2-ethylhexyl) phthalate 215.35
    ethyl propionate 609.32
    nitromethane 926.14
    1,2-diethoxyethane 1351.11
    benzonitrile 636.6
    trioctyl phosphate 179.89
    1-bromopropane 924.36
    gamma-valerolactone 1462.74
    n-decanol 306.48
    triethyl phosphate 304.44
    4-methyl-2-pentanol 359.59
    propionitrile 748.63
    vinylene carbonate 779.82
    1,1,2-trichlorotrifluoroethane 868.03
    DMS 459.83
    cumene 172.23
    2-octanol 295.59
    2-hexanone 619.37
    octyl acetate 408.92
    limonene 566.97
    1,2-dimethoxyethane 876.27
    ethyl orthosilicate 329.52
    tributyl phosphate 238.05
    diacetone alcohol 680.77
    N,N-dimethylaniline 287.48
    acrylonitrile 689.63
    aniline 738.17
    1,3-propanediol 488.9
    bromobenzene 929.11
    dibromomethane 1391.57
    1,1,2,2-tetrachloroethane 1563.71
    2-methyl-cyclohexyl acetate 504.4
    tetrabutyl urea 261.23
    diisobutyl methanol 396.8
    2-phenylethanol 604.93
    styrene 382.36
    dioctyl adipate 377.37
    dimethyl sulfate 293.26
    ethyl butyrate 1040.3
    methyl lactate 316.03
    butyl lactate 415.87
    diethyl carbonate 581.82
    propanediol butyl ether 521.74
    triethyl orthoformate 697.76
    p-tert-butyltoluene 335.07
    methyl 4-tert-butylbenzoate 418.7
    morpholine 1648.19
    tert-butylamine 543.95
    n-dodecanol 238.68
    dimethoxymethane 669.98
    ethylene carbonate 715.6
    cyrene 345.8
    2-ethoxyethyl acetate 825.1
    2-ethylhexyl acetate 881.33
    1,2,4-trichlorobenzene 747.59
    4-methylpyridine 1068.68
    dibutyl ether 809.38
    2,6-dimethyl-4-heptanol 396.8
    DEF 754.72
    dimethyl isosorbide 788.39
    tetrachloroethylene 1083.71
    eugenol 375.96
    triacetin 588.96
    span 80 553.78
    1,4-butanediol 191.04
    1,1-dichloroethane 1304.46
    2-methyl-1-pentanol 396.22
    methyl formate 277.98
    2-methyl-1-butanol 544.68
    n-decane 142.17
    butyronitrile 945.94
    3,7-dimethyl-1-octanol 463.81
    1-chlorooctane 374.66
    1-chlorotetradecane 150.82
    n-nonane 151.8
    undecane 100.95
    tert-butylcyclohexane 112.37
    cyclooctane 179.51
    cyclopentanol 614.82
    tetrahydropyran 1828.36
    tert-amyl methyl ether 598.41
    2,5,8-trioxanonane 958.03
    1-hexene 464.94
    2-isopropoxyethanol 502.83
    2,2,2-trifluoroethanol 240.69
    methyl butyrate 672.77

    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