3-(2-Thienyl)acrylaldehyde

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  • Identifiers

    CAS number
    14756-03-7

    Molecular formula
    C7H6OS

    SMILES
    C1=CSC(=C1)/C=C/C=O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 65.07%
    Nutty 55.45%
    Cinnamon 40.41%
    Woody 38.48%
    Almond 36.25%
    Burnt 34.22%
    Roasted 33.85%
    Pungent 33.37%
    Caramellic 30.86%
    Sweet 30.6%

     

    Flavor
    Sulfur 37.14%
    Cinnamon 29.85%
    Woody 29.11%
    Almond 28.91%
    Horseradish 27.59%
    Sulfurous 26.62%
    Cherry 26.25%
    Oily 25.58%
    Spice 24.44%
    Sweet 23.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.92 (weak acid)

    Molecular weight
    138.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 90.54 ˚C est.

  • Synonyms

    • 3-(2-Thienyl)acrylaldehyde
    • 14756-03-7
    • 3-(thiophen-2-yl)acrylaldehyde
    • (E)-3-thiophen-2-ylprop-2-enal
    • (E)-3-(Thiophen-2-yl)acrylaldehyde
    • 39511-07-4
    • 3-(thiophen-2-yl)prop-2-enal
    • 2-Thiopheneacrolein
    • (2E)-3-(THIOPHEN-2-YL)PROP-2-ENAL
    • Thiopheheacrolein
    • 3-(2-thienyl)acrolein
    • SCHEMBL1403481
    • SCHEMBL2343319
    • (E)-3-thiophen-2-yl-acrylaldehyde
    • MFCD00022530
    • AKOS006273188
    • SY414601
    • CS-0349914
    • NS00052208
    • EN300-1246765
    • 14756-03-7

  • Applications

    3-(2-Thienyl)acrylaldehyde (CAS 14756-03-7) is commonly used as an organic synthesis intermediate and a flexible building block in fine-chemical workflows; it may serve as a versatile starting point for preparing pharmaceutically relevant and agrochemical compounds, and can be employed as a functional monomer or co-monomer for specialty polymers and conjugated materials used in coatings, inks, and electronics; the molecule’s α,β-unsaturated aldehyde functionality enables Michael-type additions and crosslinking chemistry, supporting routes to dye/pigment precursors and thiophene-containing resins; in niche applications it may be evaluated as a reactive component in dye chemistry and polymer/adhesive formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 222.97
    methanol 199.99
    isopropanol 148.41
    water 1.39
    ethyl acetate 426.83
    n-propanol 159.28
    acetone 692.07
    n-butanol 142.6
    acetonitrile 345.4
    DMF 771.23
    toluene 194.76
    isobutanol 113.02
    1,4-dioxane 546.19
    methyl acetate 464.59
    THF 744.89
    2-butanone 517.6
    n-pentanol 111.81
    sec-butanol 131.31
    n-hexane 12.92
    ethylene glycol 101.23
    NMP 717.32
    cyclohexane 25.45
    DMSO 788.13
    n-butyl acetate 225.12
    n-octanol 81.43
    chloroform 684.05
    n-propyl acetate 256.21
    acetic acid 239.97
    dichloromethane 911.05
    cyclohexanone 554.07
    propylene glycol 90.05
    isopropyl acetate 232.8
    DMAc 495.47
    2-ethoxyethanol 251.7
    isopentanol 129.32
    n-heptane 22.85
    ethyl formate 217.74
    1,2-dichloroethane 630.75
    n-hexanol 134.83
    2-methoxyethanol 375.9
    isobutyl acetate 162.4
    tetrachloromethane 91.68
    n-pentyl acetate 141.39
    transcutol 1052.83
    n-heptanol 68.39
    ethylbenzene 92.6
    MIBK 219.55
    2-propoxyethanol 280.15
    tert-butanol 176.76
    MTBE 214.22
    2-butoxyethanol 161.79
    propionic acid 206.45
    o-xylene 117.79
    formic acid 97.28
    diethyl ether 278.8
    m-xylene 127.23
    p-xylene 108.05
    chlorobenzene 264.71
    dimethyl carbonate 211.19
    n-octane 10.56
    formamide 212.01
    cyclopentanone 796.84
    2-pentanone 406.15
    anisole 267.94
    cyclopentyl methyl ether 312.7
    gamma-butyrolactone 759.3
    1-methoxy-2-propanol 284.07
    pyridine 504.57
    3-pentanone 308.64
    furfural 622.83
    n-dodecane 11.58
    diethylene glycol 264.16
    diisopropyl ether 87.64
    tert-amyl alcohol 153.61
    acetylacetone 491.45
    n-hexadecane 13.25
    acetophenone 254.72
    methyl propionate 342.59
    isopentyl acetate 194.26
    trichloroethylene 1154.42
    n-nonanol 73.88
    cyclohexanol 158.46
    benzyl alcohol 177.84
    2-ethylhexanol 91.96
    isooctanol 66.53
    dipropyl ether 143.8
    1,2-dichlorobenzene 245.87
    ethyl lactate 112.87
    propylene carbonate 367.42
    n-methylformamide 341.15
    2-pentanol 112.15
    n-pentane 14.99
    1-propoxy-2-propanol 199.05
    1-methoxy-2-propyl acetate 260.36
    2-(2-methoxypropoxy) propanol 200.07
    mesitylene 84.72
    ε-caprolactone 425.64
    p-cymene 72.58
    epichlorohydrin 842.46
    1,1,1-trichloroethane 461.68
    2-aminoethanol 129.14
    morpholine-4-carbaldehyde 663.2
    sulfolane 765.4
    2,2,4-trimethylpentane 15.6
    2-methyltetrahydrofuran 516.04
    n-hexyl acetate 194.93
    isooctane 14.28
    2-(2-butoxyethoxy)ethanol 259.33
    sec-butyl acetate 176.05
    tert-butyl acetate 251.46
    decalin 25.75
    glycerin 158.2
    diglyme 497.67
    acrylic acid 208.5
    isopropyl myristate 86.45
    n-butyric acid 228.43
    acetyl acetate 254.69
    di(2-ethylhexyl) phthalate 84.31
    ethyl propionate 212.41
    nitromethane 641.54
    1,2-diethoxyethane 304.8
    benzonitrile 244.89
    trioctyl phosphate 60.4
    1-bromopropane 253.15
    gamma-valerolactone 764.63
    n-decanol 58.91
    triethyl phosphate 93.21
    4-methyl-2-pentanol 79.5
    propionitrile 231.05
    vinylene carbonate 320.02
    1,1,2-trichlorotrifluoroethane 412.6
    DMS 234.29
    cumene 67.66
    2-octanol 56.05
    2-hexanone 240.41
    octyl acetate 100.2
    limonene 100.05
    1,2-dimethoxyethane 400.88
    ethyl orthosilicate 90.72
    tributyl phosphate 75.73
    diacetone alcohol 268.86
    N,N-dimethylaniline 162.92
    acrylonitrile 334.6
    aniline 204.45
    1,3-propanediol 167.64
    bromobenzene 283.32
    dibromomethane 513.34
    1,1,2,2-tetrachloroethane 657.0
    2-methyl-cyclohexyl acetate 147.12
    tetrabutyl urea 106.82
    diisobutyl methanol 74.19
    2-phenylethanol 164.11
    styrene 131.49
    dioctyl adipate 122.72
    dimethyl sulfate 348.02
    ethyl butyrate 170.21
    methyl lactate 156.88
    butyl lactate 115.83
    diethyl carbonate 120.32
    propanediol butyl ether 167.89
    triethyl orthoformate 118.69
    p-tert-butyltoluene 70.18
    methyl 4-tert-butylbenzoate 179.28
    morpholine 536.0
    tert-butylamine 100.43
    n-dodecanol 48.42
    dimethoxymethane 429.06
    ethylene carbonate 248.8
    cyrene 234.19
    2-ethoxyethyl acetate 253.58
    2-ethylhexyl acetate 154.92
    1,2,4-trichlorobenzene 290.43
    4-methylpyridine 397.84
    dibutyl ether 119.69
    2,6-dimethyl-4-heptanol 74.19
    DEF 389.29
    dimethyl isosorbide 331.69
    tetrachloroethylene 400.07
    eugenol 179.63
    triacetin 239.32
    span 80 157.45
    1,4-butanediol 82.54
    1,1-dichloroethane 528.37
    2-methyl-1-pentanol 112.98
    methyl formate 298.65
    2-methyl-1-butanol 123.3
    n-decane 16.46
    butyronitrile 200.61
    3,7-dimethyl-1-octanol 92.57
    1-chlorooctane 66.23
    1-chlorotetradecane 33.65
    n-nonane 15.18
    undecane 13.57
    tert-butylcyclohexane 24.21
    cyclooctane 12.87
    cyclopentanol 184.75
    tetrahydropyran 444.49
    tert-amyl methyl ether 170.44
    2,5,8-trioxanonane 345.25
    1-hexene 62.03
    2-isopropoxyethanol 194.04
    2,2,2-trifluoroethanol 118.49
    methyl butyrate 261.76

    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