2,5-Dimethyltetrahydrothiophene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1551-31-1

    Molecular formula
    C6H12S

    SMILES
    CC1CCC(S1)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 79.16%
    Onion 57.99%
    Alliaceous 53.08%
    Tropical 47.7%
    Vegetable 46.9%
    Meaty 46.83%
    Garlic 45.34%
    Green 44.39%
    Savory 34.76%
    Roasted 26.91%

     

    Flavor
    Sulfurous 47.9%
    Green 44.36%
    Vegetable 32.45%
    Tropical 31.21%
    Onion 28.67%
    Roasted 26.93%
    Alliaceous 25.65%
    Meaty 24.23%
    Sulfury 23.9%
    Earthy 23.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.11 (neutral)

    Molecular weight
    116.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point

    • 38.56 ˚C est.

  • Synonyms

    • 2,5-Dimethyltetrahydrothiophene
    • 2,5-dimethylthiolane
    • ZKK2BG3AAJ
    • Thiophene, tetrahydro-2,5-dimethyl-
    • 1551-31-1
    • UNII-ZKK2BG3AAJ
    • TETRAHYDRODIMETHYLTHIOPHENE
    • 2,5-dimethylsulfolane
    • TETRAHYDRO-2,5-DIMETHYLTHIOPHENE
    • 2,5-dimethylsulpholane
    • Thiolane, 2,5-dimethyl
    • J1.552.549E
    • 2,5-DIMETHYLTHIOPHANE
    • SCHEMBL576319
    • SCHEMBL10870453
    • IBKCTZVPGMUZGZ-UHFFFAOYSA-N
    • 2,5-DIMETHYL PERHYDROTHIOPHENE
    • Q27295646
    • 55569-78-3
    • 1551-31-1

  • Applications

    2,5-Dimethyltetrahydrothiophene (CAS 1551-31-1) is commonly used as an odorant/fragrance ingredient in perfumery and can be employed in cosmetics and personal care as a fragrance component; it also serves as an intermediate in the synthesis of sulfur-containing fragrance compounds in industrial manufacturing and may be used as an odorant additive in household products, coatings, and inks, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 511.71
    methanol 312.11
    isopropanol 423.27
    water 0.51
    ethyl acetate 1232.74
    n-propanol 504.85
    acetone 922.12
    n-butanol 602.29
    acetonitrile 593.24
    DMF 437.41
    toluene 767.31
    isobutanol 396.59
    1,4-dioxane 1531.97
    methyl acetate 853.31
    THF 2266.69
    2-butanone 962.31
    n-pentanol 361.37
    sec-butanol 475.64
    n-hexane 257.58
    ethylene glycol 70.66
    NMP 792.89
    cyclohexane 557.35
    DMSO 482.96
    n-butyl acetate 1658.13
    n-octanol 442.13
    chloroform 2311.11
    n-propyl acetate 611.93
    acetic acid 485.77
    dichloromethane 1616.87
    cyclohexanone 1476.81
    propylene glycol 143.33
    isopropyl acetate 836.43
    DMAc 516.87
    2-ethoxyethanol 429.21
    isopentanol 530.84
    n-heptane 501.27
    ethyl formate 540.19
    1,2-dichloroethane 967.92
    n-hexanol 892.29
    2-methoxyethanol 623.56
    isobutyl acetate 446.83
    tetrachloromethane 647.41
    n-pentyl acetate 691.41
    transcutol 1855.68
    n-heptanol 456.35
    ethylbenzene 286.47
    MIBK 574.52
    2-propoxyethanol 1056.08
    tert-butanol 556.76
    MTBE 882.35
    2-butoxyethanol 617.99
    propionic acid 468.4
    o-xylene 414.15
    formic acid 92.2
    diethyl ether 1168.59
    m-xylene 471.66
    p-xylene 338.51
    chlorobenzene 832.01
    dimethyl carbonate 255.88
    n-octane 148.82
    formamide 142.48
    cyclopentanone 1557.44
    2-pentanone 933.29
    anisole 528.47
    cyclopentyl methyl ether 1196.7
    gamma-butyrolactone 1408.9
    1-methoxy-2-propanol 605.64
    pyridine 1162.81
    3-pentanone 789.47
    furfural 1046.78
    n-dodecane 93.37
    diethylene glycol 467.79
    diisopropyl ether 543.48
    tert-amyl alcohol 536.04
    acetylacetone 913.72
    n-hexadecane 109.31
    acetophenone 422.13
    methyl propionate 713.13
    isopentyl acetate 1180.43
    trichloroethylene 1701.87
    n-nonanol 409.12
    cyclohexanol 731.01
    benzyl alcohol 326.67
    2-ethylhexanol 735.49
    isooctanol 373.16
    dipropyl ether 1253.9
    1,2-dichlorobenzene 704.21
    ethyl lactate 224.56
    propylene carbonate 931.25
    n-methylformamide 302.62
    2-pentanol 520.16
    n-pentane 301.1
    1-propoxy-2-propanol 1064.21
    1-methoxy-2-propyl acetate 1130.0
    2-(2-methoxypropoxy) propanol 503.98
    mesitylene 345.16
    ε-caprolactone 1296.07
    p-cymene 383.54
    epichlorohydrin 1267.39
    1,1,1-trichloroethane 1433.15
    2-aminoethanol 170.44
    morpholine-4-carbaldehyde 854.25
    sulfolane 1081.27
    2,2,4-trimethylpentane 146.78
    2-methyltetrahydrofuran 1758.56
    n-hexyl acetate 803.03
    isooctane 130.85
    2-(2-butoxyethoxy)ethanol 732.11
    sec-butyl acetate 498.81
    tert-butyl acetate 906.84
    decalin 186.46
    glycerin 168.14
    diglyme 1253.63
    acrylic acid 329.32
    isopropyl myristate 397.68
    n-butyric acid 909.08
    acetyl acetate 840.19
    di(2-ethylhexyl) phthalate 254.54
    ethyl propionate 542.84
    nitromethane 754.79
    1,2-diethoxyethane 1273.88
    benzonitrile 555.81
    trioctyl phosphate 220.93
    1-bromopropane 887.12
    gamma-valerolactone 1477.77
    n-decanol 297.25
    triethyl phosphate 351.08
    4-methyl-2-pentanol 323.59
    propionitrile 582.57
    vinylene carbonate 739.35
    1,1,2-trichlorotrifluoroethane 752.44
    DMS 468.22
    cumene 204.96
    2-octanol 321.77
    2-hexanone 593.53
    octyl acetate 474.0
    limonene 704.82
    1,2-dimethoxyethane 765.68
    ethyl orthosilicate 371.62
    tributyl phosphate 291.4
    diacetone alcohol 652.6
    N,N-dimethylaniline 300.1
    acrylonitrile 532.45
    aniline 660.43
    1,3-propanediol 323.39
    bromobenzene 931.96
    dibromomethane 1261.39
    1,1,2,2-tetrachloroethane 1397.33
    2-methyl-cyclohexyl acetate 611.25
    tetrabutyl urea 319.56
    diisobutyl methanol 450.77
    2-phenylethanol 537.43
    styrene 359.41
    dioctyl adipate 440.27
    dimethyl sulfate 302.67
    ethyl butyrate 992.11
    methyl lactate 254.42
    butyl lactate 424.27
    diethyl carbonate 580.75
    propanediol butyl ether 424.23
    triethyl orthoformate 736.42
    p-tert-butyltoluene 403.54
    methyl 4-tert-butylbenzoate 488.48
    morpholine 1414.48
    tert-butylamine 463.86
    n-dodecanol 229.57
    dimethoxymethane 563.49
    ethylene carbonate 726.76
    cyrene 373.86
    2-ethoxyethyl acetate 835.62
    2-ethylhexyl acetate 1056.7
    1,2,4-trichlorobenzene 764.46
    4-methylpyridine 1010.16
    dibutyl ether 843.65
    2,6-dimethyl-4-heptanol 450.77
    DEF 773.59
    dimethyl isosorbide 900.65
    tetrachloroethylene 969.95
    eugenol 379.68
    triacetin 612.23
    span 80 530.32
    1,4-butanediol 119.22
    1,1-dichloroethane 1184.79
    2-methyl-1-pentanol 341.65
    methyl formate 269.55
    2-methyl-1-butanol 484.22
    n-decane 170.82
    butyronitrile 774.95
    3,7-dimethyl-1-octanol 473.39
    1-chlorooctane 421.17
    1-chlorotetradecane 180.65
    n-nonane 182.66
    undecane 119.77
    tert-butylcyclohexane 172.45
    cyclooctane 260.09
    cyclopentanol 662.71
    tetrahydropyran 1791.38
    tert-amyl methyl ether 691.99
    2,5,8-trioxanonane 825.21
    1-hexene 467.99
    2-isopropoxyethanol 399.75
    2,2,2-trifluoroethanol 196.25
    methyl butyrate 625.09

    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