5-(2-Thienylmethyl)-2-thiophenecarboxaldehyde

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  • Identifiers

    CAS number
    35250-77-2

    Molecular formula
    C10H8OS2

    SMILES
    C1=CSC(=C1)CC2=CC=C(S2)C=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.85%
    Roasted 46.17%
    Burnt 46.08%
    Meaty 44.73%
    Sulfurous 43.99%
    Coffee 41.44%
    Woody 38.82%
    Nutty 38.23%
    Caramellic 30.59%
    Savory 28.91%

     

    Flavor
    Coffee 42.72%
    Sulfur 37.53%
    Nutty 37.11%
    Roasted 35.27%
    Chocolate 32.29%
    Sulfury 32.2%
    Oily 29.99%
    Meaty 29.74%
    Almond 29.04%
    Fatty 28.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.17 (neutral)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    355°C

    Flash point

    • 128.04 ˚C est.

  • Synonyms

    • 35250-77-2
    • 5-(2-Thienylmethyl)-2-thiophenecarboxaldehyde
    • RefChem:299570
    • 5-[(Thiophen-2-yl)methyl]thiophene-2-carbaldehyde
    • 5-(thiophen-2-ylmethyl)thiophene-2-carbaldehyde
    • SCHEMBL11334292
    • DTXSID60608728
    • 5-(2-thienylmethyl)thiophene-2-carbaldehyde
    • 35250-77-2

  • Applications

    5-(2-Thienylmethyl)-2-thiophenecarboxaldehyde (CAS 35250-77-2) is primarily used as a synthetic building block for organic compounds containing thiophene motifs, serving as an intermediate in pharmaceutical and agrochemical development. It is also employed as a precursor for conjugated polymers and organic electronic materials, supporting research and formulation of conducting polymers and optoelectronic components such as OLEDs and organic photovoltaics. In coatings and inks, the aldehyde can be used to introduce thiophene functionality into polymer matrices to tune electrical and optical properties. Additionally, it may be evaluated as a fragrance intermediate in perfumery, subject to regulatory approval and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.61
    methanol 41.64
    isopropanol 28.71
    water 0.25
    ethyl acetate 113.3
    n-propanol 42.73
    acetone 103.09
    n-butanol 39.88
    acetonitrile 63.56
    DMF 148.13
    toluene 98.44
    isobutanol 29.03
    1,4-dioxane 177.72
    methyl acetate 139.82
    THF 206.88
    2-butanone 155.33
    n-pentanol 48.27
    sec-butanol 39.15
    n-hexane 1.19
    ethylene glycol 33.21
    NMP 121.56
    cyclohexane 2.44
    DMSO 123.24
    n-butyl acetate 91.18
    n-octanol 36.41
    chloroform 225.39
    n-propyl acetate 109.27
    acetic acid 69.19
    dichloromethane 161.96
    cyclohexanone 148.1
    propylene glycol 55.71
    isopropyl acetate 80.74
    DMAc 235.58
    2-ethoxyethanol 167.18
    isopentanol 45.01
    n-heptane 3.3
    ethyl formate 65.69
    1,2-dichloroethane 125.08
    n-hexanol 51.09
    2-methoxyethanol 176.64
    isobutyl acetate 84.65
    tetrachloromethane 15.84
    n-pentyl acetate 58.45
    transcutol 732.88
    n-heptanol 36.0
    ethylbenzene 51.9
    MIBK 87.99
    2-propoxyethanol 149.67
    tert-butanol 43.16
    MTBE 57.75
    2-butoxyethanol 104.16
    propionic acid 61.13
    o-xylene 56.37
    formic acid 39.42
    diethyl ether 46.99
    m-xylene 62.02
    p-xylene 59.74
    chlorobenzene 98.69
    dimethyl carbonate 63.94
    n-octane 1.92
    formamide 84.02
    cyclopentanone 167.48
    2-pentanone 104.25
    anisole 172.7
    cyclopentyl methyl ether 97.36
    gamma-butyrolactone 169.71
    1-methoxy-2-propanol 137.1
    pyridine 205.22
    3-pentanone 87.34
    furfural 234.42
    n-dodecane 2.67
    diethylene glycol 145.32
    diisopropyl ether 21.62
    tert-amyl alcohol 55.53
    acetylacetone 150.64
    n-hexadecane 3.14
    acetophenone 161.04
    methyl propionate 106.58
    isopentyl acetate 91.95
    trichloroethylene 351.19
    n-nonanol 37.57
    cyclohexanol 50.26
    benzyl alcohol 135.02
    2-ethylhexanol 47.04
    isooctanol 36.57
    dipropyl ether 45.31
    1,2-dichlorobenzene 92.18
    ethyl lactate 75.47
    propylene carbonate 111.65
    n-methylformamide 83.63
    2-pentanol 34.78
    n-pentane 1.31
    1-propoxy-2-propanol 119.67
    1-methoxy-2-propyl acetate 143.42
    2-(2-methoxypropoxy) propanol 160.05
    mesitylene 34.26
    ε-caprolactone 152.67
    p-cymene 34.62
    epichlorohydrin 269.06
    1,1,1-trichloroethane 106.71
    2-aminoethanol 57.3
    morpholine-4-carbaldehyde 235.42
    sulfolane 158.4
    2,2,4-trimethylpentane 3.45
    2-methyltetrahydrofuran 131.23
    n-hexyl acetate 75.57
    isooctane 2.98
    2-(2-butoxyethoxy)ethanol 205.23
    sec-butyl acetate 94.69
    tert-butyl acetate 98.81
    decalin 5.38
    glycerin 106.53
    diglyme 328.32
    acrylic acid 74.39
    isopropyl myristate 38.69
    n-butyric acid 69.74
    acetyl acetate 78.58
    di(2-ethylhexyl) phthalate 47.78
    ethyl propionate 94.7
    nitromethane 152.05
    1,2-diethoxyethane 154.19
    benzonitrile 121.98
    trioctyl phosphate 27.18
    1-bromopropane 45.02
    gamma-valerolactone 265.94
    n-decanol 30.71
    triethyl phosphate 49.91
    4-methyl-2-pentanol 34.9
    propionitrile 59.85
    vinylene carbonate 124.01
    1,1,2-trichlorotrifluoroethane 248.86
    DMS 97.57
    cumene 37.55
    2-octanol 28.68
    2-hexanone 111.75
    octyl acetate 44.66
    limonene 40.68
    1,2-dimethoxyethane 205.6
    ethyl orthosilicate 48.36
    tributyl phosphate 34.77
    diacetone alcohol 130.53
    N,N-dimethylaniline 99.53
    acrylonitrile 95.33
    aniline 111.7
    1,3-propanediol 68.67
    bromobenzene 95.44
    dibromomethane 86.49
    1,1,2,2-tetrachloroethane 250.13
    2-methyl-cyclohexyl acetate 78.63
    tetrabutyl urea 51.18
    diisobutyl methanol 32.92
    2-phenylethanol 113.54
    styrene 68.43
    dioctyl adipate 59.93
    dimethyl sulfate 88.42
    ethyl butyrate 82.03
    methyl lactate 81.68
    butyl lactate 70.76
    diethyl carbonate 59.13
    propanediol butyl ether 118.03
    triethyl orthoformate 67.55
    p-tert-butyltoluene 33.03
    methyl 4-tert-butylbenzoate 98.28
    morpholine 194.9
    tert-butylamine 24.11
    n-dodecanol 24.86
    dimethoxymethane 129.42
    ethylene carbonate 86.3
    cyrene 148.78
    2-ethoxyethyl acetate 127.71
    2-ethylhexyl acetate 74.88
    1,2,4-trichlorobenzene 136.61
    4-methylpyridine 182.61
    dibutyl ether 44.15
    2,6-dimethyl-4-heptanol 32.92
    DEF 109.35
    dimethyl isosorbide 205.0
    tetrachloroethylene 125.73
    eugenol 122.73
    triacetin 115.96
    span 80 106.13
    1,4-butanediol 44.7
    1,1-dichloroethane 103.1
    2-methyl-1-pentanol 57.7
    methyl formate 68.91
    2-methyl-1-butanol 42.7
    n-decane 3.92
    butyronitrile 53.55
    3,7-dimethyl-1-octanol 45.85
    1-chlorooctane 22.54
    1-chlorotetradecane 10.99
    n-nonane 3.09
    undecane 3.14
    tert-butylcyclohexane 5.89
    cyclooctane 1.75
    cyclopentanol 45.94
    tetrahydropyran 109.69
    tert-amyl methyl ether 63.43
    2,5,8-trioxanonane 239.5
    1-hexene 11.68
    2-isopropoxyethanol 126.97
    2,2,2-trifluoroethanol 45.65
    methyl butyrate 107.86

    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