2,3-Dimethylthiophene

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  • Identifiers

    CAS number
    632-16-6

    Molecular formula
    C6H8S

    SMILES
    CC1=C(SC=C1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 69.27%
    Sweet 59.17%
    Meaty 58.93%
    Nutty 54.17%
    Sulfurous 47.06%
    Burnt 46.05%
    Coffee 45.0%
    Onion 43.06%
    Pungent 34.88%
    Savory 34.71%

     

    Flavor
    Nutty 65.81%
    Green 55.22%
    Roasted 51.59%
    Vegetable 40.94%
    Sulfury 37.79%
    Meaty 37.68%
    Coffee 35.22%
    Earthy 34.63%
    Sulfurous 32.4%
    Onion 32.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.48 (neutral)

    Molecular weight
    112.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -49 °C

    Boiling point

    • 138.00 to 140.00 °C. @ 760.00 mm Hg

    Flash point

    • 19.38 ˚C est.

  • Synonyms

    • 2,3-Dimethylthiophene
    • 632-16-6
    • Thiophene, 2,3-dimethyl-
    • 2,3-dimethyl-thiophene
    • VJY61TQ8W6
    • MFCD00130081
    • EINECS 211-170-2
    • UNII-VJY61TQ8W6
    • DTXSID50212550
    • 2,3,Dimethylthiophene
    • 2.3-Dimethylthiophene
    • DIMETHYLTHIOPHENE
    • 2,3-dirnethylthiophene
    • 2,3-dimethyl thiophene
    • 2,3- dimethyl-thiophene
    • SCHEMBL113923
    • DTXCID80135041
    • BBL102631
    • GEO-01225
    • STL556434
    • AKOS005167027
    • PS-5890
    • SB66949
    • DB-021331
    • NS00035369
    • C16125
    • EN300-100000
    • 211-170-2

  • Applications

    2,3-Dimethylthiophene (CAS 632-16-6) is used as a building block and intermediate in the synthesis of heterocyclic compounds for pharmaceuticals and agrochemicals; it may serve as a precursor for thiophene-based polymers and organic electronic materials; it can function as an aroma-active ingredient or fragrance intermediate in perfumery and may also be used as an aroma intermediate in flavor applications; in coatings and inks, it provides a specialty chemical building block for thiophene-related chemistry used in coatings and pigments; it is also a focus of research and development for new material formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 238.0
    methanol 228.2
    isopropanol 185.71
    water 3.75
    ethyl acetate 408.89
    n-propanol 230.17
    acetone 276.95
    n-butanol 220.3
    acetonitrile 327.63
    DMF 322.41
    toluene 363.08
    isobutanol 159.93
    1,4-dioxane 746.07
    methyl acetate 411.65
    THF 470.59
    2-butanone 373.82
    n-pentanol 168.29
    sec-butanol 238.23
    n-hexane 62.83
    ethylene glycol 58.49
    NMP 262.2
    cyclohexane 87.28
    DMSO 187.21
    n-butyl acetate 243.25
    n-octanol 131.39
    chloroform 1147.65
    n-propyl acetate 205.61
    acetic acid 196.41
    dichloromethane 767.09
    cyclohexanone 320.96
    propylene glycol 86.3
    isopropyl acetate 259.51
    DMAc 456.15
    2-ethoxyethanol 307.9
    isopentanol 189.04
    n-heptane 72.53
    ethyl formate 186.98
    1,2-dichloroethane 388.16
    n-hexanol 202.2
    2-methoxyethanol 346.9
    isobutyl acetate 154.41
    tetrachloromethane 320.93
    n-pentyl acetate 174.19
    transcutol 735.96
    n-heptanol 142.91
    ethylbenzene 209.95
    MIBK 193.21
    2-propoxyethanol 327.89
    tert-butanol 234.93
    MTBE 340.82
    2-butoxyethanol 241.06
    propionic acid 193.32
    o-xylene 255.02
    formic acid 85.91
    diethyl ether 402.73
    m-xylene 235.52
    p-xylene 271.44
    chlorobenzene 355.45
    dimethyl carbonate 153.09
    n-octane 35.4
    formamide 173.42
    cyclopentanone 309.2
    2-pentanone 268.56
    anisole 433.5
    cyclopentyl methyl ether 270.03
    gamma-butyrolactone 292.72
    1-methoxy-2-propanol 280.52
    pyridine 575.98
    3-pentanone 286.6
    furfural 384.73
    n-dodecane 26.4
    diethylene glycol 192.02
    diisopropyl ether 162.43
    tert-amyl alcohol 266.99
    acetylacetone 306.33
    n-hexadecane 29.67
    acetophenone 319.35
    methyl propionate 283.51
    isopentyl acetate 226.44
    trichloroethylene 882.42
    n-nonanol 136.97
    cyclohexanol 183.88
    benzyl alcohol 237.32
    2-ethylhexanol 158.74
    isooctanol 131.24
    dipropyl ether 228.41
    1,2-dichlorobenzene 348.2
    ethyl lactate 97.71
    propylene carbonate 192.86
    n-methylformamide 202.63
    2-pentanol 189.72
    n-pentane 72.53
    1-propoxy-2-propanol 247.3
    1-methoxy-2-propyl acetate 288.53
    2-(2-methoxypropoxy) propanol 246.38
    mesitylene 159.66
    ε-caprolactone 300.47
    p-cymene 140.43
    epichlorohydrin 441.0
    1,1,1-trichloroethane 666.92
    2-aminoethanol 132.25
    morpholine-4-carbaldehyde 436.35
    sulfolane 225.8
    2,2,4-trimethylpentane 49.62
    2-methyltetrahydrofuran 395.61
    n-hexyl acetate 208.13
    isooctane 36.45
    2-(2-butoxyethoxy)ethanol 307.2
    sec-butyl acetate 184.97
    tert-butyl acetate 298.74
    decalin 60.85
    glycerin 104.78
    diglyme 576.76
    acrylic acid 167.19
    isopropyl myristate 118.08
    n-butyric acid 238.69
    acetyl acetate 279.13
    di(2-ethylhexyl) phthalate 98.79
    ethyl propionate 208.53
    nitromethane 369.06
    1,2-diethoxyethane 425.98
    benzonitrile 265.83
    trioctyl phosphate 61.69
    1-bromopropane 296.7
    gamma-valerolactone 467.76
    n-decanol 102.83
    triethyl phosphate 122.13
    4-methyl-2-pentanol 125.95
    propionitrile 293.02
    vinylene carbonate 232.17
    1,1,2-trichlorotrifluoroethane 332.18
    DMS 197.36
    cumene 143.99
    2-octanol 106.61
    2-hexanone 228.09
    octyl acetate 132.5
    limonene 176.92
    1,2-dimethoxyethane 467.85
    ethyl orthosilicate 132.76
    tributyl phosphate 73.78
    diacetone alcohol 249.24
    N,N-dimethylaniline 293.41
    acrylonitrile 315.17
    aniline 353.44
    1,3-propanediol 171.11
    bromobenzene 386.81
    dibromomethane 509.09
    1,1,2,2-tetrachloroethane 664.58
    2-methyl-cyclohexyl acetate 195.85
    tetrabutyl urea 93.61
    diisobutyl methanol 110.25
    2-phenylethanol 261.09
    styrene 255.65
    dioctyl adipate 141.55
    dimethyl sulfate 186.96
    ethyl butyrate 224.36
    methyl lactate 125.26
    butyl lactate 112.02
    diethyl carbonate 164.92
    propanediol butyl ether 140.14
    triethyl orthoformate 193.68
    p-tert-butyltoluene 144.17
    methyl 4-tert-butylbenzoate 243.03
    morpholine 634.34
    tert-butylamine 196.44
    n-dodecanol 78.87
    dimethoxymethane 301.29
    ethylene carbonate 191.28
    cyrene 192.98
    2-ethoxyethyl acetate 285.54
    2-ethylhexyl acetate 208.37
    1,2,4-trichlorobenzene 409.58
    4-methylpyridine 513.79
    dibutyl ether 197.76
    2,6-dimethyl-4-heptanol 110.25
    DEF 296.13
    dimethyl isosorbide 384.37
    tetrachloroethylene 503.7
    eugenol 245.81
    triacetin 226.56
    span 80 184.69
    1,4-butanediol 83.17
    1,1-dichloroethane 521.18
    2-methyl-1-pentanol 180.33
    methyl formate 133.98
    2-methyl-1-butanol 194.67
    n-decane 43.52
    butyronitrile 247.0
    3,7-dimethyl-1-octanol 145.53
    1-chlorooctane 125.75
    1-chlorotetradecane 57.99
    n-nonane 40.03
    undecane 32.19
    tert-butylcyclohexane 62.61
    cyclooctane 48.39
    cyclopentanol 165.03
    tetrahydropyran 465.51
    tert-amyl methyl ether 301.05
    2,5,8-trioxanonane 421.16
    1-hexene 153.73
    2-isopropoxyethanol 243.68
    2,2,2-trifluoroethanol 117.11
    methyl butyrate 216.37

    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