2,5-Dimethylthiophene-3-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    26421-44-3

    Molecular formula
    C7H8OS

    SMILES
    CC1=CC(=C(S1)C)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Nutty 63.64%
    Roasted 59.97%
    Meaty 48.97%
    Sweet 47.28%
    Almond 44.94%
    Burnt 42.58%
    Caramellic 39.92%
    Coffee 39.55%
    Spicy 36.81%
    Sulfurous 32.38%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.58 (neutral)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point est.
    76.68 ˚C

  • Synonyms

    • 2,5-dimethylthiophene-3-carbaldehyde
    • 26421-44-3
    • 2,5-Dimethyl-thiophene-3-carbaldehyde
    • 2,5-dimethylthiophene-3-carboxaldehyde
    • 3-Thiophenecarboxaldehyde, 2,5-dimethyl-
    • MFCD03426895
    • DTXSID70376426
    • 2,5-dimethyl-3-formylthiophene
    • 2,5-dimethyl-3-thiophenecarbaldehyde
    • SCHEMBL1834958
    • DTXCID30327454
    • BBA42144
    • BBL039889
    • STK349491
    • XH1307
    • AKOS000307380
    • DS-7493
    • 2,5-dimethyl-thiophene-3-carboxaldehyde
    • 3-Thiophenecarboxaldehyde, 2,5-dimethyl
    • SY079330
    • DB-008139
    • CS-0068031
    • EN300-55116
    • D70135
    • Z336080308

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.51
    methanol 260.24
    isopropanol 169.9
    water 8.95
    ethyl acetate 351.91
    n-propanol 187.39
    acetone 328.36
    n-butanol 183.11
    acetonitrile 313.05
    DMF 459.39
    toluene 250.33
    isobutanol 133.43
    1,4-dioxane 670.78
    methyl acetate 334.36
    THF 663.72
    2-butanone 270.09
    n-pentanol 126.44
    sec-butanol 146.73
    n-hexane 24.63
    ethylene glycol 84.43
    NMP 416.17
    cyclohexane 38.36
    DMSO 263.58
    n-butyl acetate 190.35
    n-octanol 93.08
    chloroform 783.01
    n-propyl acetate 170.13
    acetic acid 255.98
    dichloromethane 616.37
    cyclohexanone 374.14
    propylene glycol 78.17
    isopropyl acetate 193.57
    DMAc 269.33
    2-ethoxyethanol 269.01
    isopentanol 149.08
    n-heptane 31.15
    ethyl formate 214.76
    1,2-dichloroethane 383.63
    n-hexanol 189.89
    2-methoxyethanol 449.34
    isobutyl acetate 118.95
    tetrachloromethane 187.72
    n-pentyl acetate 126.56
    transcutol 554.51
    n-heptanol 103.3
    ethylbenzene 110.97
    MIBK 178.28
    2-propoxyethanol 364.44
    tert-butanol 233.0
    MTBE 191.27
    2-butoxyethanol 189.25
    propionic acid 181.32
    o-xylene 137.04
    formic acid 167.76
    diethyl ether 290.15
    m-xylene 176.78
    p-xylene 139.91
    chlorobenzene 279.33
    dimethyl carbonate 170.25
    n-octane 14.3
    formamide 260.19
    cyclopentanone 432.78
    2-pentanone 252.41
    anisole 268.22
    cyclopentyl methyl ether 319.78
    gamma-butyrolactone 486.68
    1-methoxy-2-propanol 334.28
    pyridine 435.73
    3-pentanone 197.77
    furfural 484.87
    n-dodecane 11.92
    diethylene glycol 292.44
    diisopropyl ether 96.81
    tert-amyl alcohol 172.11
    acetylacetone 311.39
    n-hexadecane 13.85
    acetophenone 203.43
    methyl propionate 254.2
    isopentyl acetate 164.13
    trichloroethylene 772.31
    n-nonanol 86.65
    cyclohexanol 188.57
    benzyl alcohol 185.24
    2-ethylhexanol 111.26
    isooctanol 84.63
    dipropyl ether 138.27
    1,2-dichlorobenzene 246.87
    ethyl lactate 98.04
    propylene carbonate 269.35
    n-methylformamide 288.83
    2-pentanol 135.36
    n-pentane 28.13
    1-propoxy-2-propanol 225.4
    1-methoxy-2-propyl acetate 228.74
    2-(2-methoxypropoxy) propanol 167.43
    mesitylene 108.49
    ε-caprolactone 323.74
    p-cymene 73.15
    epichlorohydrin 608.58
    1,1,1-trichloroethane 484.86
    2-aminoethanol 136.29
    morpholine-4-carbaldehyde 517.24
    sulfolane 392.53
    2,2,4-trimethylpentane 18.78
    2-methyltetrahydrofuran 422.91
    n-hexyl acetate 177.66
    isooctane 18.65
    2-(2-butoxyethoxy)ethanol 231.2
    sec-butyl acetate 126.98
    tert-butyl acetate 224.06
    decalin 28.75
    glycerin 143.37
    diglyme 405.44
    acrylic acid 179.41
    isopropyl myristate 80.25
    n-butyric acid 240.57
    acetyl acetate 228.96
    di(2-ethylhexyl) phthalate 72.72
    ethyl propionate 162.47
    nitromethane 526.46
    1,2-diethoxyethane 217.19
    benzonitrile 228.33
    trioctyl phosphate 55.46
    1-bromopropane 213.78
    gamma-valerolactone 568.79
    n-decanol 64.06
    triethyl phosphate 87.04
    4-methyl-2-pentanol 96.47
    propionitrile 211.29
    vinylene carbonate 292.39
    1,1,2-trichlorotrifluoroethane 364.49
    DMS 176.75
    cumene 73.68
    2-octanol 72.49
    2-hexanone 164.43
    octyl acetate 96.46
    limonene 97.2
    1,2-dimethoxyethane 375.23
    ethyl orthosilicate 87.14
    tributyl phosphate 65.77
    diacetone alcohol 247.55
    N,N-dimethylaniline 158.63
    acrylonitrile 268.56
    aniline 251.89
    1,3-propanediol 213.2
    bromobenzene 286.53
    dibromomethane 410.18
    1,1,2,2-tetrachloroethane 474.68
    2-methyl-cyclohexyl acetate 130.81
    tetrabutyl urea 85.75
    diisobutyl methanol 74.97
    2-phenylethanol 209.71
    styrene 145.34
    dioctyl adipate 98.23
    dimethyl sulfate 220.62
    ethyl butyrate 146.91
    methyl lactate 145.62
    butyl lactate 100.49
    diethyl carbonate 110.89
    propanediol butyl ether 141.95
    triethyl orthoformate 113.45
    p-tert-butyltoluene 75.49
    methyl 4-tert-butylbenzoate 173.94
    morpholine 586.68
    tert-butylamine 143.29
    n-dodecanol 50.29
    dimethoxymethane 394.41
    ethylene carbonate 249.95
    cyrene 194.2
    2-ethoxyethyl acetate 196.33
    2-ethylhexyl acetate 131.67
    1,2,4-trichlorobenzene 275.68
    4-methylpyridine 408.45
    dibutyl ether 103.35
    2,6-dimethyl-4-heptanol 74.97
    DEF 245.33
    dimethyl isosorbide 300.65
    tetrachloroethylene 362.77
    eugenol 182.27
    triacetin 157.0
    span 80 149.32
    1,4-butanediol 85.19
    1,1-dichloroethane 435.19
    2-methyl-1-pentanol 113.76
    methyl formate 248.16
    2-methyl-1-butanol 134.79
    n-decane 19.61
    butyronitrile 216.72
    3,7-dimethyl-1-octanol 91.19
    1-chlorooctane 74.85
    1-chlorotetradecane 33.42
    n-nonane 18.12
    undecane 14.81
    tert-butylcyclohexane 27.79
    cyclooctane 19.66
    cyclopentanol 203.9
    tetrahydropyran 431.3
    tert-amyl methyl ether 162.8
    2,5,8-trioxanonane 291.59
    1-hexene 80.98
    2-isopropoxyethanol 191.13
    2,2,2-trifluoroethanol 185.39
    methyl butyrate 188.83

    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

Botanical

Name CAS Botanical Proportion
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.02%