2-Propylthiophene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1551-27-5

    Molecular formula
    C7H10S

    SMILES
    CCCC1=CC=CS1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 62.23%
    Sulfurous 60.9%
    Fatty 54.21%
    Fruity 53.36%
    Burnt 49.84%
    Meaty 47.31%
    Green 44.03%
    Savory 42.73%
    Onion 41.45%
    Alliaceous 41.1%

     

    Flavor
    Fruity 63.3%
    Green 56.03%
    Sweet 53.93%
    Nutty 41.73%
    Vegetable 36.97%
    Roasted 36.81%
    Fatty 35.41%
    Spicy 35.34%
    Earthy 35.02%
    Meaty 32.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.12 (neutral)

    Molecular weight
    126.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 158.00 to 159.00 °C. @ 760.00 mm Hg

    Flash point

    • 33.32 ˚C est.

  • Synonyms

    • 2-Propylthiophene
    • 2-n-Propylthiophene
    • 1551-27-5
    • THIOPHENE, 2-PROPYL-
    • Isopropylthiophene
    • 2-propyl-thiophene
    • 2-n-PROPYL THIOPHENE
    • UNII-Y6M897104J
    • EINECS 216-288-8
    • MFCD00014533
    • NSC-82326
    • Y6M897104J
    • DTXSID50165810
    • NSC 82326
    • Thiophene,2-propyl-
    • Thiophene, propyl-
    • 2-Propyl thiophene
    • NSC82326
    • 2-Propylthiophene, 97%
    • BIDD:GT0385
    • SCHEMBL151464
    • DTXCID8088301
    • STL584008
    • AKOS005169226
    • FP38867
    • AS-11284
    • SY062005
    • DB-064070
    • CS-0138003
    • P2451
    • EN300-114356
    • F17557
    • Q27294319

  • Applications

    2-Propylthiophene (CAS 1551-27-5) is primarily used as an organic synthesis intermediate and building block for thiophene-based compounds. It is also explored as a precursor for conducting polymers and materials for organic electronics, including use in conductive inks and specialty coatings. In fragrance and flavor research, it may be considered as an odor-active sulfur-containing aromatic component. It serves as an intermediate in pharmaceutical synthesis, supporting routes to drug-like thiophene-containing structures. Depending on formulations and regulations, it may find niche applications in advanced coatings and plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 731.3
    methanol 471.26
    isopropanol 641.53
    water 0.23
    ethyl acetate 1110.61
    n-propanol 668.65
    acetone 1768.46
    n-butanol 783.3
    acetonitrile 809.8
    DMF 1299.58
    toluene 1079.52
    isobutanol 592.66
    1,4-dioxane 2249.3
    methyl acetate 941.14
    THF 3053.96
    2-butanone 1278.44
    n-pentanol 577.32
    sec-butanol 604.31
    n-hexane 411.22
    ethylene glycol 114.47
    NMP 1359.31
    cyclohexane 634.04
    DMSO 1564.12
    n-butyl acetate 1642.44
    n-octanol 541.06
    chloroform 2375.15
    n-propyl acetate 838.39
    acetic acid 404.03
    dichloromethane 2182.78
    cyclohexanone 2163.35
    propylene glycol 192.23
    isopropyl acetate 739.6
    DMAc 829.87
    2-ethoxyethanol 606.17
    isopentanol 655.9
    n-heptane 504.29
    ethyl formate 526.92
    1,2-dichloroethane 1564.32
    n-hexanol 1245.92
    2-methoxyethanol 855.57
    isobutyl acetate 670.84
    tetrachloromethane 628.34
    n-pentyl acetate 668.97
    transcutol 1873.67
    n-heptanol 510.45
    ethylbenzene 440.55
    MIBK 827.96
    2-propoxyethanol 1393.75
    tert-butanol 861.36
    MTBE 1131.06
    2-butoxyethanol 646.13
    propionic acid 456.84
    o-xylene 515.54
    formic acid 61.73
    diethyl ether 1504.5
    m-xylene 633.56
    p-xylene 509.97
    chlorobenzene 1101.94
    dimethyl carbonate 338.58
    n-octane 182.19
    formamide 106.3
    cyclopentanone 2150.6
    2-pentanone 1294.92
    anisole 774.37
    cyclopentyl methyl ether 1550.19
    gamma-butyrolactone 1539.73
    1-methoxy-2-propanol 814.34
    pyridine 1578.35
    3-pentanone 912.47
    furfural 1252.55
    n-dodecane 126.49
    diethylene glycol 686.83
    diisopropyl ether 523.6
    tert-amyl alcohol 679.63
    acetylacetone 1149.41
    n-hexadecane 146.84
    acetophenone 644.84
    methyl propionate 764.3
    isopentyl acetate 1161.63
    trichloroethylene 2269.47
    n-nonanol 460.25
    cyclohexanol 930.1
    benzyl alcohol 472.66
    2-ethylhexanol 844.55
    isooctanol 412.76
    dipropyl ether 1289.29
    1,2-dichlorobenzene 875.79
    ethyl lactate 292.78
    propylene carbonate 942.02
    n-methylformamide 440.36
    2-pentanol 598.5
    n-pentane 355.06
    1-propoxy-2-propanol 1096.73
    1-methoxy-2-propyl acetate 990.09
    2-(2-methoxypropoxy) propanol 558.15
    mesitylene 449.59
    ε-caprolactone 1432.35
    p-cymene 384.31
    epichlorohydrin 1829.09
    1,1,1-trichloroethane 1789.11
    2-aminoethanol 221.76
    morpholine-4-carbaldehyde 1427.05
    sulfolane 1902.43
    2,2,4-trimethylpentane 161.06
    2-methyltetrahydrofuran 2224.03
    n-hexyl acetate 907.94
    isooctane 184.89
    2-(2-butoxyethoxy)ethanol 816.03
    sec-butyl acetate 569.45
    tert-butyl acetate 885.45
    decalin 268.95
    glycerin 243.94
    diglyme 1451.72
    acrylic acid 346.78
    isopropyl myristate 416.84
    n-butyric acid 820.67
    acetyl acetate 621.17
    di(2-ethylhexyl) phthalate 309.05
    ethyl propionate 610.44
    nitromethane 769.28
    1,2-diethoxyethane 1211.27
    benzonitrile 744.88
    trioctyl phosphate 258.68
    1-bromopropane 1329.02
    gamma-valerolactone 1926.84
    n-decanol 358.1
    triethyl phosphate 318.16
    4-methyl-2-pentanol 385.07
    propionitrile 713.88
    vinylene carbonate 786.52
    1,1,2-trichlorotrifluoroethane 844.95
    DMS 550.92
    cumene 306.87
    2-octanol 376.54
    2-hexanone 1012.78
    octyl acetate 480.87
    limonene 680.17
    1,2-dimethoxyethane 1326.96
    ethyl orthosilicate 329.35
    tributyl phosphate 318.74
    diacetone alcohol 781.39
    N,N-dimethylaniline 501.5
    acrylonitrile 682.9
    aniline 746.09
    1,3-propanediol 394.36
    bromobenzene 1331.9
    dibromomethane 1785.46
    1,1,2,2-tetrachloroethane 1777.45
    2-methyl-cyclohexyl acetate 632.81
    tetrabutyl urea 440.07
    diisobutyl methanol 455.51
    2-phenylethanol 695.7
    styrene 590.2
    dioctyl adipate 453.56
    dimethyl sulfate 504.09
    ethyl butyrate 893.47
    methyl lactate 305.57
    butyl lactate 411.02
    diethyl carbonate 460.93
    propanediol butyl ether 533.69
    triethyl orthoformate 558.46
    p-tert-butyltoluene 394.56
    methyl 4-tert-butylbenzoate 536.43
    morpholine 2071.21
    tert-butylamine 610.11
    n-dodecanol 294.11
    dimethoxymethane 1048.5
    ethylene carbonate 742.67
    cyrene 554.11
    2-ethoxyethyl acetate 731.61
    2-ethylhexyl acetate 1013.48
    1,2,4-trichlorobenzene 955.28
    4-methylpyridine 1518.12
    dibutyl ether 866.76
    2,6-dimethyl-4-heptanol 455.51
    DEF 1066.02
    dimethyl isosorbide 997.04
    tetrachloroethylene 1176.84
    eugenol 518.89
    triacetin 591.26
    span 80 592.46
    1,4-butanediol 213.21
    1,1-dichloroethane 1642.83
    2-methyl-1-pentanol 514.09
    methyl formate 393.36
    2-methyl-1-butanol 599.71
    n-decane 205.21
    butyronitrile 939.39
    3,7-dimethyl-1-octanol 520.09
    1-chlorooctane 588.01
    1-chlorotetradecane 248.03
    n-nonane 229.62
    undecane 154.81
    tert-butylcyclohexane 246.95
    cyclooctane 295.45
    cyclopentanol 833.0
    tetrahydropyran 2435.3
    tert-amyl methyl ether 767.64
    2,5,8-trioxanonane 952.09
    1-hexene 881.89
    2-isopropoxyethanol 547.16
    2,2,2-trifluoroethanol 137.1
    methyl butyrate 781.97

    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