2-Propylthiophene-3-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C8H10OS

    SMILES
    CCCC1=C(C=CS1)C=O

  • Odor profile

    Roasted 47.74%
    Fruity 46.57%
    Nutty 45.29%
    Green 42.74%
    Fatty 40.19%
    Meaty 35.4%
    Caramellic 34.07%
    Spicy 29.22%
    Vegetable 29.17%
    Burnt 28.79%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.32 (neutral)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point est.
    89.6 ˚C

  • Synonyms

    • SCHEMBL17428932

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 614.44
    methanol 500.74
    isopropanol 417.28
    water 0.76
    ethyl acetate 1034.54
    n-propanol 464.1
    acetone 1994.59
    n-butanol 414.46
    acetonitrile 1038.8
    DMF 2320.08
    toluene 635.05
    isobutanol 328.94
    1,4-dioxane 1336.87
    methyl acetate 1104.06
    THF 2135.96
    2-butanone 1402.15
    n-pentanol 253.8
    sec-butanol 308.25
    n-hexane 28.83
    ethylene glycol 149.81
    NMP 1790.5
    cyclohexane 79.93
    DMSO 2200.49
    n-butyl acetate 557.18
    n-octanol 147.77
    chloroform 2398.26
    n-propyl acetate 550.44
    acetic acid 548.84
    dichloromethane 3165.05
    cyclohexanone 1888.86
    propylene glycol 150.46
    isopropyl acetate 530.73
    DMAc 911.91
    2-ethoxyethanol 447.36
    isopentanol 322.48
    n-heptane 30.95
    ethyl formate 627.78
    1,2-dichloroethane 2297.03
    n-hexanol 324.01
    2-methoxyethanol 808.09
    isobutyl acetate 333.56
    tetrachloromethane 356.2
    n-pentyl acetate 326.18
    transcutol 1242.99
    n-heptanol 145.8
    ethylbenzene 220.59
    MIBK 496.72
    2-propoxyethanol 607.99
    tert-butanol 421.46
    MTBE 484.47
    2-butoxyethanol 299.13
    propionic acid 486.5
    o-xylene 280.78
    formic acid 139.21
    diethyl ether 633.66
    m-xylene 385.09
    p-xylene 273.79
    chlorobenzene 1098.39
    dimethyl carbonate 405.69
    n-octane 19.09
    formamide 356.15
    cyclopentanone 2541.47
    2-pentanone 1021.7
    anisole 508.65
    cyclopentyl methyl ether 820.32
    gamma-butyrolactone 2385.31
    1-methoxy-2-propanol 632.27
    pyridine 1575.09
    3-pentanone 706.07
    furfural 1590.05
    n-dodecane 18.26
    diethylene glycol 488.96
    diisopropyl ether 165.89
    tert-amyl alcohol 306.22
    acetylacetone 1177.03
    n-hexadecane 22.34
    acetophenone 486.29
    methyl propionate 836.12
    isopentyl acetate 450.5
    trichloroethylene 3943.03
    n-nonanol 130.85
    cyclohexanol 439.13
    benzyl alcohol 396.08
    2-ethylhexanol 177.28
    isooctanol 126.46
    dipropyl ether 232.33
    1,2-dichlorobenzene 842.8
    ethyl lactate 208.93
    propylene carbonate 1004.88
    n-methylformamide 1054.0
    2-pentanol 255.72
    n-pentane 35.41
    1-propoxy-2-propanol 388.61
    1-methoxy-2-propyl acetate 551.37
    2-(2-methoxypropoxy) propanol 256.27
    mesitylene 221.61
    ε-caprolactone 1243.62
    p-cymene 132.84
    epichlorohydrin 2630.04
    1,1,1-trichloroethane 1639.63
    2-aminoethanol 230.47
    morpholine-4-carbaldehyde 1375.22
    sulfolane 2249.42
    2,2,4-trimethylpentane 26.61
    2-methyltetrahydrofuran 1304.38
    n-hexyl acetate 418.37
    isooctane 27.44
    2-(2-butoxyethoxy)ethanol 372.63
    sec-butyl acetate 321.3
    tert-butyl acetate 549.65
    decalin 50.11
    glycerin 232.76
    diglyme 766.66
    acrylic acid 469.99
    isopropyl myristate 160.12
    n-butyric acid 667.44
    acetyl acetate 539.04
    di(2-ethylhexyl) phthalate 147.06
    ethyl propionate 420.55
    nitromethane 1563.46
    1,2-diethoxyethane 498.31
    benzonitrile 754.56
    trioctyl phosphate 109.27
    1-bromopropane 903.57
    gamma-valerolactone 2169.85
    n-decanol 102.23
    triethyl phosphate 155.54
    4-methyl-2-pentanol 157.55
    propionitrile 717.12
    vinylene carbonate 940.38
    1,1,2-trichlorotrifluoroethane 928.03
    DMS 445.18
    cumene 131.98
    2-octanol 113.67
    2-hexanone 541.57
    octyl acetate 195.73
    limonene 193.56
    1,2-dimethoxyethane 787.15
    ethyl orthosilicate 146.54
    tributyl phosphate 139.7
    diacetone alcohol 523.67
    N,N-dimethylaniline 267.53
    acrylonitrile 1129.64
    aniline 599.82
    1,3-propanediol 366.69
    bromobenzene 1240.22
    dibromomethane 1882.82
    1,1,2,2-tetrachloroethane 2141.8
    2-methyl-cyclohexyl acetate 265.93
    tetrabutyl urea 191.91
    diisobutyl methanol 125.86
    2-phenylethanol 367.52
    styrene 351.44
    dioctyl adipate 207.13
    dimethyl sulfate 689.65
    ethyl butyrate 330.07
    methyl lactate 296.68
    butyl lactate 224.98
    diethyl carbonate 213.22
    propanediol butyl ether 279.01
    triethyl orthoformate 208.52
    p-tert-butyltoluene 130.48
    methyl 4-tert-butylbenzoate 317.81
    morpholine 1370.03
    tert-butylamine 230.66
    n-dodecanol 79.65
    dimethoxymethane 1040.65
    ethylene carbonate 755.72
    cyrene 364.98
    2-ethoxyethyl acetate 482.49
    2-ethylhexyl acetate 345.4
    1,2,4-trichlorobenzene 906.78
    4-methylpyridine 1432.27
    dibutyl ether 205.19
    2,6-dimethyl-4-heptanol 125.86
    DEF 941.58
    dimethyl isosorbide 553.71
    tetrachloroethylene 1372.34
    eugenol 333.86
    triacetin 352.3
    span 80 246.11
    1,4-butanediol 156.65
    1,1-dichloroethane 1991.09
    2-methyl-1-pentanol 216.19
    methyl formate 869.41
    2-methyl-1-butanol 284.51
    n-decane 27.76
    butyronitrile 696.86
    3,7-dimethyl-1-octanol 153.51
    1-chlorooctane 152.86
    1-chlorotetradecane 63.15
    n-nonane 26.43
    undecane 22.22
    tert-butylcyclohexane 46.78
    cyclooctane 28.52
    cyclopentanol 552.22
    tetrahydropyran 1218.41
    tert-amyl methyl ether 317.77
    2,5,8-trioxanonane 447.02
    1-hexene 160.23
    2-isopropoxyethanol 317.27
    2,2,2-trifluoroethanol 236.76
    methyl butyrate 595.12

    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 0.08%