3-Propylthiophene

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  • Identifiers

    CAS number
    1518-75-8

    Molecular formula
    C7H10S

    SMILES
    CCCC1=CSC=C1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Roasted 54.96%
    Fatty 51.42%
    Green 50.58%
    Sulfurous 43.31%
    Meaty 43.1%
    Burnt 40.76%
    Savory 35.76%
    Onion 34.53%
    Vegetable 34.03%
    Fruity 32.59%

     

    Flavor
    Fruity 70.01%
    Green 60.51%
    Nutty 53.91%
    Fatty 45.96%
    Earthy 44.21%
    Sweet 42.61%
    Vegetable 41.45%
    Spicy 41.09%
    Meaty 39.55%
    Roasted 37.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.13 (neutral)

    Molecular weight
    126.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    161°C

    Flash point

    • 36.87 ˚C est.

  • Synonyms

    • 3-Propylthiophene
    • 1518-75-8
    • Thiophene, 3-propyl-
    • UNII-L5S1ZBD98N
    • L5S1ZBD98N
    • DTXSID40333884
    • RefChem:95387
    • DTXCID50284974
    • 679-673-3
    • QZNFRMXKQCIPQY-UHFFFAOYSA-N
    • 3-n-Propylthiophene
    • MFCD00143183
    • Thiophene,3-propyl-
    • 3-propyl-thiophene
    • SCHEMBL3698
    • SCHEMBL131059
    • SCHEMBL149875
    • SCHEMBL282801
    • LCZC2155
    • SCHEMBL1170539
    • SCHEMBL2001264
    • SCHEMBL7067546
    • SCHEMBL8198746
    • SCHEMBL17667511
    • GEO-02172
    • AKOS015839615
    • FS-5711
    • DB-043120
    • CS-0447000
    • P1128
    • T71823
    • EN300-6486735
    • F050967
    • Q27282745
    • 1518-75-8

  • Applications

    3-Propylthiophene, CAS 1518-75-8, is used as a synthetic intermediate and building block to access thiophene-containing compounds and polythiophene derivatives for electronics and sensing applications, including polythiophene-based coatings and inks for organic electronics and electrochemical devices. It may serve as a monomer precursor for conductive polymer systems such as poly(3-alkylthiophene) families used in OLEDs, organic photovoltaics, and sensor formulations. In perfumery, derivatives of 3-propylthiophene can function as fragrance ingredients or odorant components. It also serves as a precursor for the synthesis of more complex heteroaromatic compounds in medicinal and agrochemical research. In research and development, it is evaluated for chemical sensing and electrochemical devices due to the thiophene ring's electrical and sorption properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 434.78
    methanol 254.06
    isopropanol 402.44
    water 0.09
    ethyl acetate 762.88
    n-propanol 430.67
    acetone 1255.06
    n-butanol 512.13
    acetonitrile 490.0
    DMF 836.3
    toluene 881.98
    isobutanol 404.81
    1,4-dioxane 1616.23
    methyl acetate 662.14
    THF 2343.71
    2-butanone 940.11
    n-pentanol 405.71
    sec-butanol 412.81
    n-hexane 333.58
    ethylene glycol 63.0
    NMP 903.35
    cyclohexane 503.99
    DMSO 1026.46
    n-butyl acetate 1208.53
    n-octanol 386.32
    chloroform 1616.39
    n-propyl acetate 614.67
    acetic acid 234.46
    dichloromethane 1487.21
    cyclohexanone 1591.9
    propylene glycol 110.73
    isopropyl acetate 539.16
    DMAc 560.14
    2-ethoxyethanol 405.63
    isopentanol 465.17
    n-heptane 403.99
    ethyl formate 333.11
    1,2-dichloroethane 1178.0
    n-hexanol 904.21
    2-methoxyethanol 552.74
    isobutyl acetate 502.29
    tetrachloromethane 431.5
    n-pentyl acetate 481.26
    transcutol 1447.68
    n-heptanol 371.9
    ethylbenzene 365.26
    MIBK 625.32
    2-propoxyethanol 955.02
    tert-butanol 568.79
    MTBE 811.56
    2-butoxyethanol 465.41
    propionic acid 293.71
    o-xylene 406.83
    formic acid 30.93
    diethyl ether 1101.0
    m-xylene 501.92
    p-xylene 411.41
    chlorobenzene 819.85
    dimethyl carbonate 222.12
    n-octane 147.12
    formamide 56.01
    cyclopentanone 1615.37
    2-pentanone 962.4
    anisole 587.53
    cyclopentyl methyl ether 1239.05
    gamma-butyrolactone 1128.27
    1-methoxy-2-propanol 542.31
    pyridine 1197.83
    3-pentanone 690.44
    furfural 842.04
    n-dodecane 98.78
    diethylene glycol 440.62
    diisopropyl ether 391.07
    tert-amyl alcohol 454.6
    acetylacetone 839.2
    n-hexadecane 114.23
    acetophenone 482.48
    methyl propionate 542.24
    isopentyl acetate 861.22
    trichloroethylene 1699.28
    n-nonanol 332.35
    cyclohexanol 658.54
    benzyl alcohol 344.93
    2-ethylhexanol 629.93
    isooctanol 314.09
    dipropyl ether 1010.41
    1,2-dichlorobenzene 660.16
    ethyl lactate 204.61
    propylene carbonate 667.56
    n-methylformamide 258.79
    2-pentanol 412.02
    n-pentane 275.72
    1-propoxy-2-propanol 779.73
    1-methoxy-2-propyl acetate 741.23
    2-(2-methoxypropoxy) propanol 397.21
    mesitylene 353.84
    ε-caprolactone 1025.78
    p-cymene 301.15
    epichlorohydrin 1353.24
    1,1,1-trichloroethane 1249.96
    2-aminoethanol 129.75
    morpholine-4-carbaldehyde 984.72
    sulfolane 1351.03
    2,2,4-trimethylpentane 119.53
    2-methyltetrahydrofuran 1679.47
    n-hexyl acetate 653.54
    isooctane 139.31
    2-(2-butoxyethoxy)ethanol 599.4
    sec-butyl acetate 437.92
    tert-butyl acetate 626.4
    decalin 218.51
    glycerin 142.36
    diglyme 1082.39
    acrylic acid 216.86
    isopropyl myristate 304.94
    n-butyric acid 530.3
    acetyl acetate 427.38
    di(2-ethylhexyl) phthalate 219.02
    ethyl propionate 443.09
    nitromethane 457.05
    1,2-diethoxyethane 929.41
    benzonitrile 526.28
    trioctyl phosphate 187.36
    1-bromopropane 1029.61
    gamma-valerolactone 1366.65
    n-decanol 261.57
    triethyl phosphate 232.93
    4-methyl-2-pentanol 277.94
    propionitrile 480.82
    vinylene carbonate 540.44
    1,1,2-trichlorotrifluoroethane 575.95
    DMS 391.72
    cumene 243.93
    2-octanol 268.69
    2-hexanone 755.21
    octyl acetate 354.99
    limonene 519.22
    1,2-dimethoxyethane 989.13
    ethyl orthosilicate 243.1
    tributyl phosphate 219.23
    diacetone alcohol 540.93
    N,N-dimethylaniline 392.08
    acrylonitrile 453.45
    aniline 562.01
    1,3-propanediol 233.96
    bromobenzene 1047.7
    dibromomethane 1280.55
    1,1,2,2-tetrachloroethane 1334.83
    2-methyl-cyclohexyl acetate 475.91
    tetrabutyl urea 314.69
    diisobutyl methanol 344.6
    2-phenylethanol 515.46
    styrene 498.71
    dioctyl adipate 340.01
    dimethyl sulfate 333.25
    ethyl butyrate 655.21
    methyl lactate 199.17
    butyl lactate 284.48
    diethyl carbonate 338.0
    propanediol butyl ether 366.1
    triethyl orthoformate 413.63
    p-tert-butyltoluene 306.62
    methyl 4-tert-butylbenzoate 404.24
    morpholine 1544.51
    tert-butylamine 433.98
    n-dodecanol 217.43
    dimethoxymethane 709.54
    ethylene carbonate 514.3
    cyrene 382.18
    2-ethoxyethyl acetate 548.1
    2-ethylhexyl acetate 762.17
    1,2,4-trichlorobenzene 720.38
    4-methylpyridine 1121.31
    dibutyl ether 660.38
    2,6-dimethyl-4-heptanol 344.6
    DEF 740.13
    dimethyl isosorbide 706.21
    tetrachloroethylene 882.12
    eugenol 379.18
    triacetin 428.85
    span 80 419.5
    1,4-butanediol 128.15
    1,1-dichloroethane 1193.55
    2-methyl-1-pentanol 371.35
    methyl formate 236.61
    2-methyl-1-butanol 421.98
    n-decane 160.9
    butyronitrile 632.12
    3,7-dimethyl-1-octanol 367.94
    1-chlorooctane 445.66
    1-chlorotetradecane 189.65
    n-nonane 181.19
    undecane 120.49
    tert-butylcyclohexane 196.81
    cyclooctane 240.71
    cyclopentanol 599.22
    tetrahydropyran 1913.33
    tert-amyl methyl ether 559.69
    2,5,8-trioxanonane 711.08
    1-hexene 712.82
    2-isopropoxyethanol 384.28
    2,2,2-trifluoroethanol 78.21
    methyl butyrate 572.46

    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