2,3-Dihydrothiophene

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  • Identifiers

    CAS number
    1120-59-8

    Molecular formula
    C4H6S

    SMILES
    C1CSC=C1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 77.49%
    Garlic 59.69%
    Onion 52.81%
    Alliaceous 51.64%
    Meaty 46.49%
    Roasted 38.82%
    Pungent 34.53%
    Savory 32.31%
    Cooked 31.89%
    Mushroom 30.11%

     

    Flavor
    Garlic 44.36%
    Alliaceous 43.35%
    Sulfurous 38.9%
    Onion 34.89%
    Ammoniacal 32.4%
    Fishy 29.56%
    Roasted 28.17%
    Solvent 27.28%
    Sulfur 26.84%
    Amine 26.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.08 (weak acid)

    Molecular weight
    86.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    106°C

    Flash point

    • 17.71 ˚C est.

  • Synonyms

    • 2,3-Dihydrothiophene
    • Thiophene, 2,3-dihydro-
    • DTXSID20149809
    • RefChem:81743
    • DTXCID0072300
    • OXBLVCZKDOZZOJ-UHFFFAOYSA-N
    • 1120-59-8
    • dihydrothiophene
    • thiol-ene
    • 2-thiole
    • 2,3-dihydro-thiophene
    • 9WWU9T5GZH
    • SCHEMBL3060
    • Dihydro-2-(3H)-thiophene
    • SCHEMBL22953
    • SCHEMBL22954
    • SCHEMBL37711
    • SCHEMBL234524
    • SCHEMBL236644
    • SCHEMBL5224585
    • SCHEMBL14698470
    • SCHEMBL16797791
    • SCHEMBL21624504
    • CHEBI:178613
    • AKOS006370205
    • DB-226802
    • Q4596760
    • 1120-59-8

  • Applications

    2,3-Dihydrothiophene (CAS 1120-59-8) is primarily used as an organic synthesis intermediate, providing a versatile building block for the preparation of sulfur-containing heterocycles and various substituted thiophene derivatives. It serves as a precursor in polymer and materials chemistry, enabling routes to sulfur-containing polymers and related advanced materials after functionalization or oxidation. In industrial manufacturing, it is studied as a reactive monomer or intermediate for coatings, inks, and specialty chemicals. In pharmaceutical and agrochemical research, it is employed as a scaffold or starting material for thiophene-containing frameworks. It also appears in research settings for electronics and optoelectronic materials where sulfur-containing rings are designed to exhibit conducting or semiconducting properties, depending on formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 805.07
    methanol 663.43
    isopropanol 568.34
    water 3.56
    ethyl acetate 481.02
    n-propanol 604.72
    acetone 1071.71
    n-butanol 592.65
    acetonitrile 495.57
    DMF 702.4
    toluene 389.91
    isobutanol 439.67
    1,4-dioxane 989.0
    methyl acetate 472.26
    THF 1468.92
    2-butanone 697.36
    n-pentanol 411.87
    sec-butanol 496.06
    n-hexane 140.45
    ethylene glycol 274.77
    NMP 658.83
    cyclohexane 278.92
    DMSO 1040.15
    n-butyl acetate 566.37
    n-octanol 293.3
    chloroform 1041.63
    n-propyl acetate 329.65
    acetic acid 732.58
    dichloromethane 804.53
    cyclohexanone 803.78
    propylene glycol 395.38
    isopropyl acetate 296.61
    DMAc 527.7
    2-ethoxyethanol 550.91
    isopentanol 407.91
    n-heptane 256.79
    ethyl formate 271.57
    1,2-dichloroethane 556.14
    n-hexanol 632.47
    2-methoxyethanol 765.28
    isobutyl acetate 230.36
    tetrachloromethane 241.31
    n-pentyl acetate 266.13
    transcutol 1538.65
    n-heptanol 293.22
    ethylbenzene 157.11
    MIBK 332.17
    2-propoxyethanol 822.73
    tert-butanol 544.13
    MTBE 452.97
    2-butoxyethanol 460.2
    propionic acid 493.75
    o-xylene 214.09
    formic acid 222.11
    diethyl ether 631.22
    m-xylene 240.5
    p-xylene 186.96
    chlorobenzene 383.07
    dimethyl carbonate 181.81
    n-octane 70.72
    formamide 265.97
    cyclopentanone 955.54
    2-pentanone 612.77
    anisole 318.65
    cyclopentyl methyl ether 704.38
    gamma-butyrolactone 770.63
    1-methoxy-2-propanol 644.98
    pyridine 805.26
    3-pentanone 461.35
    furfural 640.04
    n-dodecane 50.03
    diethylene glycol 597.99
    diisopropyl ether 219.5
    tert-amyl alcohol 422.02
    acetylacetone 520.12
    n-hexadecane 54.96
    acetophenone 267.06
    methyl propionate 397.54
    isopentyl acetate 388.55
    trichloroethylene 900.79
    n-nonanol 249.44
    cyclohexanol 557.57
    benzyl alcohol 279.26
    2-ethylhexanol 391.35
    isooctanol 216.0
    dipropyl ether 589.09
    1,2-dichlorobenzene 280.14
    ethyl lactate 178.82
    propylene carbonate 385.48
    n-methylformamide 383.98
    2-pentanol 426.03
    n-pentane 193.11
    1-propoxy-2-propanol 682.42
    1-methoxy-2-propyl acetate 444.37
    2-(2-methoxypropoxy) propanol 373.31
    mesitylene 150.99
    ε-caprolactone 557.46
    p-cymene 164.18
    epichlorohydrin 741.65
    1,1,1-trichloroethane 560.72
    2-aminoethanol 440.58
    morpholine-4-carbaldehyde 738.81
    sulfolane 796.17
    2,2,4-trimethylpentane 72.91
    2-methyltetrahydrofuran 898.76
    n-hexyl acetate 350.83
    isooctane 68.79
    2-(2-butoxyethoxy)ethanol 542.75
    sec-butyl acetate 215.17
    tert-butyl acetate 298.32
    decalin 81.23
    glycerin 457.13
    diglyme 888.52
    acrylic acid 440.48
    isopropyl myristate 162.57
    n-butyric acid 567.58
    acetyl acetate 301.65
    di(2-ethylhexyl) phthalate 138.33
    ethyl propionate 262.86
    nitromethane 713.42
    1,2-diethoxyethane 592.56
    benzonitrile 318.98
    trioctyl phosphate 115.71
    1-bromopropane 489.13
    gamma-valerolactone 922.65
    n-decanol 190.17
    triethyl phosphate 137.86
    4-methyl-2-pentanol 223.7
    propionitrile 402.33
    vinylene carbonate 340.92
    1,1,2-trichlorotrifluoroethane 599.86
    DMS 215.03
    cumene 110.19
    2-octanol 185.04
    2-hexanone 399.46
    octyl acetate 207.74
    limonene 292.62
    1,2-dimethoxyethane 641.62
    ethyl orthosilicate 146.53
    tributyl phosphate 133.52
    diacetone alcohol 379.18
    N,N-dimethylaniline 211.86
    acrylonitrile 408.58
    aniline 429.95
    1,3-propanediol 483.01
    bromobenzene 390.04
    dibromomethane 655.05
    1,1,2,2-tetrachloroethane 697.49
    2-methyl-cyclohexyl acetate 248.87
    tetrabutyl urea 185.25
    diisobutyl methanol 215.99
    2-phenylethanol 328.96
    styrene 214.82
    dioctyl adipate 215.15
    dimethyl sulfate 237.41
    ethyl butyrate 357.78
    methyl lactate 252.46
    butyl lactate 223.66
    diethyl carbonate 193.87
    propanediol butyl ether 439.52
    triethyl orthoformate 261.11
    p-tert-butyltoluene 162.84
    methyl 4-tert-butylbenzoate 232.84
    morpholine 1052.7
    tert-butylamine 393.81
    n-dodecanol 158.89
    dimethoxymethane 533.8
    ethylene carbonate 301.32
    cyrene 285.91
    2-ethoxyethyl acetate 357.17
    2-ethylhexyl acetate 326.3
    1,2,4-trichlorobenzene 339.66
    4-methylpyridine 582.53
    dibutyl ether 368.58
    2,6-dimethyl-4-heptanol 215.99
    DEF 470.57
    dimethyl isosorbide 464.63
    tetrachloroethylene 496.2
    eugenol 249.27
    triacetin 323.92
    span 80 403.27
    1,4-butanediol 259.99
    1,1-dichloroethane 604.96
    2-methyl-1-pentanol 301.73
    methyl formate 271.1
    2-methyl-1-butanol 413.59
    n-decane 82.08
    butyronitrile 427.19
    3,7-dimethyl-1-octanol 261.29
    1-chlorooctane 198.35
    1-chlorotetradecane 91.46
    n-nonane 89.55
    undecane 60.53
    tert-butylcyclohexane 74.78
    cyclooctane 116.91
    cyclopentanol 586.22
    tetrahydropyran 1029.38
    tert-amyl methyl ether 341.57
    2,5,8-trioxanonane 622.09
    1-hexene 310.0
    2-isopropoxyethanol 404.83
    2,2,2-trifluoroethanol 227.83
    methyl butyrate 307.39

    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