5-Propylthiophene-2-carbaldehyde

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  • Identifiers

    CAS number
    35250-76-1

    Molecular formula
    C8H10OS

    SMILES
    CCCC1=CC=C(S1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.05%
    Caramellic 44.03%
    Sweet 39.48%
    Nutty 39.08%
    Green 37.22%
    Roasted 34.73%
    Berry 32.71%
    Tropical 32.08%
    Fatty 31.91%
    Burnt 29.97%

     

    Flavor
    Sweet 49.0%
    Woody 45.11%
    Fatty 42.13%
    Almond 39.46%
    Spicy 38.36%
    Green 33.61%
    Nutty 32.0%
    Oily 31.62%
    Caramel 29.98%
    Spice 29.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.65 (neutral)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 78.17 ˚C est.

  • Synonyms

    • 5-propylthiophene-2-carbaldehyde
    • 35250-76-1
    • DTXSID70390187
    • RefChem:304731
    • DTXCID20341048
    • 873-018-7
    • 5-Propyl-thiophene-2-carbaldehyde
    • MFCD07186394
    • 5-n-propyl thiophene-2-aldehyde
    • SCHEMBL1418985
    • SCHEMBL11458176
    • 5-propylthiophene-2-carboxaldehyde
    • KBA25076
    • SBB010356
    • STK351234
    • AKOS000303238
    • CS-0196318
    • ST45119106
    • EN300-92256
    • E90049
    • Z1198171732
    • 35250-76-1

  • Applications

    5-Propylthiophene-2-carbaldehyde (CAS 35250-76-1) is primarily used as a synthetic building block in the production of heteroaromatic compounds. It may serve as an intermediate in pharmaceutical and agrochemical synthesis, and as a precursor for conjugated polymers and other organic electronic materials. In fragrance and cosmetics, it can function as a fragrance intermediate contributing to sulfur-containing aroma notes. In coatings, inks and adhesives, the aldehyde functionality enables reactive derivatization (e.g., imine formation) for crosslinking or adhesion enhancement. Its use is typically formulation- and regulation-dependent, and it may be employed under appropriate safety and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 499.45
    methanol 433.35
    isopropanol 316.02
    water 0.32
    ethyl acetate 1264.46
    n-propanol 398.12
    acetone 2445.33
    n-butanol 372.51
    acetonitrile 1045.58
    DMF 2495.0
    toluene 817.28
    isobutanol 285.13
    1,4-dioxane 1138.1
    methyl acetate 1265.74
    THF 2265.6
    2-butanone 1618.02
    n-pentanol 268.55
    sec-butanol 302.83
    n-hexane 29.87
    ethylene glycol 144.02
    NMP 2492.31
    cyclohexane 72.63
    DMSO 3094.27
    n-butyl acetate 839.06
    n-octanol 160.11
    chloroform 2400.95
    n-propyl acetate 702.9
    acetic acid 618.31
    dichloromethane 2918.74
    cyclohexanone 2169.51
    propylene glycol 181.74
    isopropyl acetate 613.58
    DMAc 1252.79
    2-ethoxyethanol 488.17
    isopentanol 325.96
    n-heptane 29.38
    ethyl formate 742.59
    1,2-dichloroethane 2272.81
    n-hexanol 344.83
    2-methoxyethanol 862.85
    isobutyl acetate 384.29
    tetrachloromethane 382.64
    n-pentyl acetate 414.69
    transcutol 2242.16
    n-heptanol 142.2
    ethylbenzene 288.23
    MIBK 614.29
    2-propoxyethanol 652.67
    tert-butanol 394.3
    MTBE 537.47
    2-butoxyethanol 337.7
    propionic acid 525.67
    o-xylene 367.99
    formic acid 205.49
    diethyl ether 624.94
    m-xylene 474.91
    p-xylene 347.74
    chlorobenzene 1274.21
    dimethyl carbonate 503.81
    n-octane 12.03
    formamide 537.64
    cyclopentanone 2959.11
    2-pentanone 1338.2
    anisole 709.83
    cyclopentyl methyl ether 1030.73
    gamma-butyrolactone 2679.85
    1-methoxy-2-propanol 646.84
    pyridine 1725.12
    3-pentanone 894.03
    furfural 2323.24
    n-dodecane 10.78
    diethylene glycol 527.4
    diisopropyl ether 172.92
    tert-amyl alcohol 344.6
    acetylacetone 1580.08
    n-hexadecane 13.71
    acetophenone 715.84
    methyl propionate 1058.07
    isopentyl acetate 611.17
    trichloroethylene 4722.16
    n-nonanol 129.78
    cyclohexanol 451.84
    benzyl alcohol 480.7
    2-ethylhexanol 221.11
    isooctanol 121.88
    dipropyl ether 280.89
    1,2-dichlorobenzene 1055.99
    ethyl lactate 251.14
    propylene carbonate 1254.69
    n-methylformamide 1199.28
    2-pentanol 266.82
    n-pentane 29.89
    1-propoxy-2-propanol 469.64
    1-methoxy-2-propyl acetate 738.37
    2-(2-methoxypropoxy) propanol 352.43
    mesitylene 246.25
    ε-caprolactone 1563.33
    p-cymene 165.53
    epichlorohydrin 2998.4
    1,1,1-trichloroethane 1805.09
    2-aminoethanol 241.26
    morpholine-4-carbaldehyde 1659.87
    sulfolane 3236.65
    2,2,4-trimethylpentane 26.85
    2-methyltetrahydrofuran 1608.32
    n-hexyl acetate 573.23
    isooctane 24.99
    2-(2-butoxyethoxy)ethanol 509.31
    sec-butyl acetate 403.83
    tert-butyl acetate 641.73
    decalin 50.91
    glycerin 265.11
    diglyme 1053.15
    acrylic acid 562.94
    isopropyl myristate 171.69
    n-butyric acid 693.61
    acetyl acetate 664.54
    di(2-ethylhexyl) phthalate 175.41
    ethyl propionate 550.36
    nitromethane 2062.41
    1,2-diethoxyethane 634.68
    benzonitrile 924.52
    trioctyl phosphate 117.96
    1-bromopropane 811.39
    gamma-valerolactone 2834.79
    n-decanol 95.05
    triethyl phosphate 188.19
    4-methyl-2-pentanol 166.99
    propionitrile 714.94
    vinylene carbonate 1156.45
    1,1,2-trichlorotrifluoroethane 1347.43
    DMS 614.89
    cumene 160.8
    2-octanol 111.29
    2-hexanone 745.48
    octyl acetate 220.93
    limonene 248.33
    1,2-dimethoxyethane 957.26
    ethyl orthosilicate 176.84
    tributyl phosphate 176.58
    diacetone alcohol 686.85
    N,N-dimethylaniline 360.56
    acrylonitrile 1154.75
    aniline 728.37
    1,3-propanediol 365.8
    bromobenzene 1467.45
    dibromomethane 1753.99
    1,1,2,2-tetrachloroethane 2553.92
    2-methyl-cyclohexyl acetate 341.19
    tetrabutyl urea 232.64
    diisobutyl methanol 143.82
    2-phenylethanol 481.12
    styrene 447.4
    dioctyl adipate 255.51
    dimethyl sulfate 913.69
    ethyl butyrate 447.62
    methyl lactate 367.36
    butyl lactate 312.01
    diethyl carbonate 267.95
    propanediol butyl ether 393.15
    triethyl orthoformate 262.08
    p-tert-butyltoluene 156.44
    methyl 4-tert-butylbenzoate 378.52
    morpholine 1388.75
    tert-butylamine 224.11
    n-dodecanol 71.33
    dimethoxymethane 1069.15
    ethylene carbonate 885.86
    cyrene 450.23
    2-ethoxyethyl acetate 687.62
    2-ethylhexyl acetate 478.34
    1,2,4-trichlorobenzene 1210.44
    4-methylpyridine 1924.7
    dibutyl ether 260.86
    2,6-dimethyl-4-heptanol 143.82
    DEF 1243.28
    dimethyl isosorbide 742.14
    tetrachloroethylene 1546.53
    eugenol 394.97
    triacetin 507.04
    span 80 312.52
    1,4-butanediol 157.14
    1,1-dichloroethane 1907.06
    2-methyl-1-pentanol 254.81
    methyl formate 956.52
    2-methyl-1-butanol 310.28
    n-decane 18.65
    butyronitrile 706.95
    3,7-dimethyl-1-octanol 184.9
    1-chlorooctane 147.87
    1-chlorotetradecane 50.16
    n-nonane 18.2
    undecane 13.74
    tert-butylcyclohexane 46.12
    cyclooctane 29.09
    cyclopentanol 521.03
    tetrahydropyran 1255.73
    tert-amyl methyl ether 396.15
    2,5,8-trioxanonane 579.99
    1-hexene 174.82
    2-isopropoxyethanol 353.84
    2,2,2-trifluoroethanol 272.35
    methyl butyrate 807.51

    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