2-n-Octylthiophene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    880-36-4

    Molecular formula
    C12H20S

    SMILES
    CCCCCCCCC1=CC=CS1

  • Odor profile

    Fragrance
    Fatty 72.58%
    Green 62.0%
    Meaty 59.14%
    Fruity 56.33%
    Sulfurous 55.5%
    Roasted 50.53%
    Tropical 48.03%
    Savory 45.2%
    Vegetable 43.52%
    Mushroom 41.99%

     

    Flavor
    Green 68.37%
    Fruity 68.14%
    Fatty 60.16%
    Floral 48.06%
    Waxy 36.52%
    Mushroom 36.05%
    Earthy 35.1%
    Nutty 35.05%
    Meaty 34.5%
    Sweet 33.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.54 (neutral)

    Molecular weight
    196.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 82.98 ˚C est.

  • Synonyms

    • 2-n-Octylthiophene
    • 2-Octylthiophene
    • 880-36-4
    • Thiophene, 2-octyl-
    • EINECS 212-913-3
    • DTXSID70236753
    • octylthiophene
    • MFCD00041015
    • SCHEMBL23407
    • DTXCID00159244
    • AKOS015839920
    • AS-57000
    • CS-0152265
    • NS00042238
    • O0376
    • D82005
    • 212-913-3

  • Applications

    2-n-Octylthiophene, CAS 880-36-4, is primarily used as an intermediate and building block in the synthesis of thiophene-based polymers for organic electronics, including applications in OLEDs, organic photovoltaics, and related conducting materials. The octyl substituent improves solubility and processability of the resulting polymers, enabling solution-based fabrication. It also serves as a specialty chemical building block for thiophene-containing coatings and conductive inks. Additionally, it is encountered as an intermediate in the synthesis of more complex thiophene derivatives for research and development in materials science. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 792.94
    methanol 301.39
    isopropanol 800.49
    water 0.0
    ethyl acetate 2957.45
    n-propanol 862.08
    acetone 3045.85
    n-butanol 1033.83
    acetonitrile 816.34
    DMF 964.03
    toluene 2193.79
    isobutanol 743.79
    1,4-dioxane 4587.59
    methyl acetate 1662.96
    THF 6018.69
    2-butanone 2956.79
    n-pentanol 851.8
    sec-butanol 916.32
    n-hexane 906.7
    ethylene glycol 37.89
    NMP 906.74
    cyclohexane 1913.21
    DMSO 1645.29
    n-butyl acetate 4642.31
    n-octanol 524.78
    chloroform 3846.8
    n-propyl acetate 2216.63
    acetic acid 378.61
    dichloromethane 4158.44
    cyclohexanone 4111.18
    propylene glycol 115.44
    isopropyl acetate 2162.17
    DMAc 1049.36
    2-ethoxyethanol 998.93
    isopentanol 1102.57
    n-heptane 1024.14
    ethyl formate 705.6
    1,2-dichloroethane 3781.74
    n-hexanol 1643.53
    2-methoxyethanol 1014.56
    isobutyl acetate 1565.15
    tetrachloromethane 822.46
    n-pentyl acetate 1403.27
    transcutol 4756.51
    n-heptanol 519.55
    ethylbenzene 885.21
    MIBK 1825.07
    2-propoxyethanol 1953.45
    tert-butanol 1165.76
    MTBE 3476.14
    2-butoxyethanol 810.93
    propionic acid 426.66
    o-xylene 886.93
    formic acid 25.37
    diethyl ether 4817.48
    m-xylene 1054.01
    p-xylene 962.84
    chlorobenzene 1721.63
    dimethyl carbonate 340.28
    n-octane 275.37
    formamide 61.1
    cyclopentanone 3048.12
    2-pentanone 3226.31
    anisole 1378.2
    cyclopentyl methyl ether 3397.33
    gamma-butyrolactone 1782.16
    1-methoxy-2-propanol 992.01
    pyridine 3257.92
    3-pentanone 2289.66
    furfural 1228.4
    n-dodecane 127.48
    diethylene glycol 558.91
    diisopropyl ether 1631.29
    tert-amyl alcohol 1056.58
    acetylacetone 2406.1
    n-hexadecane 160.08
    acetophenone 1024.81
    methyl propionate 1395.43
    isopentyl acetate 3253.68
    trichloroethylene 4510.3
    n-nonanol 515.95
    cyclohexanol 1367.65
    benzyl alcohol 636.95
    2-ethylhexanol 1391.89
    isooctanol 521.15
    dipropyl ether 4618.91
    1,2-dichlorobenzene 1314.87
    ethyl lactate 357.04
    propylene carbonate 1151.12
    n-methylformamide 261.31
    2-pentanol 966.19
    n-pentane 618.27
    1-propoxy-2-propanol 1864.79
    1-methoxy-2-propyl acetate 2353.14
    2-(2-methoxypropoxy) propanol 732.02
    mesitylene 681.35
    ε-caprolactone 2494.94
    p-cymene 677.47
    epichlorohydrin 3521.55
    1,1,1-trichloroethane 3428.33
    2-aminoethanol 139.58
    morpholine-4-carbaldehyde 1557.84
    sulfolane 1759.55
    2,2,4-trimethylpentane 250.6
    2-methyltetrahydrofuran 5183.62
    n-hexyl acetate 1542.9
    isooctane 242.81
    2-(2-butoxyethoxy)ethanol 1096.38
    sec-butyl acetate 1608.57
    tert-butyl acetate 2445.47
    decalin 480.56
    glycerin 137.98
    diglyme 2623.84
    acrylic acid 226.95
    isopropyl myristate 650.82
    n-butyric acid 1142.18
    acetyl acetate 1297.58
    di(2-ethylhexyl) phthalate 368.12
    ethyl propionate 1503.99
    nitromethane 754.18
    1,2-diethoxyethane 4865.44
    benzonitrile 938.08
    trioctyl phosphate 286.18
    1-bromopropane 3589.68
    gamma-valerolactone 2809.7
    n-decanol 374.36
    triethyl phosphate 618.6
    4-methyl-2-pentanol 600.72
    propionitrile 956.07
    vinylene carbonate 791.62
    1,1,2-trichlorotrifluoroethane 1164.83
    DMS 813.3
    cumene 490.24
    2-octanol 390.36
    2-hexanone 2539.02
    octyl acetate 674.09
    limonene 1451.08
    1,2-dimethoxyethane 3128.57
    ethyl orthosilicate 715.3
    tributyl phosphate 418.06
    diacetone alcohol 1318.91
    N,N-dimethylaniline 751.81
    acrylonitrile 672.61
    aniline 1125.79
    1,3-propanediol 341.2
    bromobenzene 2307.72
    dibromomethane 3346.67
    1,1,2,2-tetrachloroethane 3831.0
    2-methyl-cyclohexyl acetate 1340.18
    tetrabutyl urea 561.48
    diisobutyl methanol 829.42
    2-phenylethanol 958.58
    styrene 1242.66
    dioctyl adipate 740.96
    dimethyl sulfate 431.71
    ethyl butyrate 2729.39
    methyl lactate 267.55
    butyl lactate 558.32
    diethyl carbonate 1187.7
    propanediol butyl ether 475.87
    triethyl orthoformate 1588.31
    p-tert-butyltoluene 649.66
    methyl 4-tert-butylbenzoate 639.57
    morpholine 4349.11
    tert-butylamine 1010.33
    n-dodecanol 295.36
    dimethoxymethane 1645.24
    ethylene carbonate 911.99
    cyrene 530.71
    2-ethoxyethyl acetate 1674.93
    2-ethylhexyl acetate 2807.02
    1,2,4-trichlorobenzene 1348.27
    4-methylpyridine 2878.19
    dibutyl ether 2479.06
    2,6-dimethyl-4-heptanol 829.42
    DEF 2146.54
    dimethyl isosorbide 1432.22
    tetrachloroethylene 2240.41
    eugenol 521.41
    triacetin 971.29
    span 80 672.89
    1,4-butanediol 152.75
    1,1-dichloroethane 3467.08
    2-methyl-1-pentanol 893.78
    methyl formate 222.94
    2-methyl-1-butanol 928.1
    n-decane 274.7
    butyronitrile 1611.21
    3,7-dimethyl-1-octanol 746.9
    1-chlorooctane 834.82
    1-chlorotetradecane 305.12
    n-nonane 316.28
    undecane 174.76
    tert-butylcyclohexane 379.32
    cyclooctane 635.58
    cyclopentanol 920.74
    tetrahydropyran 7244.84
    tert-amyl methyl ether 2041.04
    2,5,8-trioxanonane 1463.43
    1-hexene 2415.47
    2-isopropoxyethanol 893.62
    2,2,2-trifluoroethanol 84.36
    methyl butyrate 1997.62

    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