2,6-Dipropyl-5,6-dihydro-2H-thiopyran-3-carboxaldehyde

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  • Identifiers

    CAS number
    61407-00-9

    Molecular formula
    C12H20OS

    SMILES
    CCCC1CC=C(C(S1)CCC)C=O

  • Odor profile

    Fragrance
    Green 77.8%
    Tropical 42.15%
    Vegetable 38.11%
    Herbal 35.07%
    Fatty 31.64%
    Roasted 31.56%
    Meaty 31.01%
    Nutty 30.72%
    Fruity 30.02%
    Metallic 28.44%

     

    Flavor
    Green 61.95%
    Herbal 46.66%
    Spicy 32.37%
    Fresh 31.91%
    Fatty 30.83%
    Spice 28.23%
    Tropical 27.57%
    Oily 26.85%
    Floral 25.61%
    Metallic 23.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.45 (neutral)

    Molecular weight
    212.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 133.63 ˚C est.

  • Synonyms

    • OTY1T56CSO
    • Fema No. 4822
    • 61407-00-9
    • UNII-OTY1T56CSO
    • 2,6-Dipropyl-5,6-dihydro-2H-thiopyran-3-carboxaldehyde
    • 3,6-Dihydro-2,6-dipropyl-2H-thiopyran-5-carboxaldehyde
    • 2,6-dipropyl-3,6-dihydro-2H-thiopyran-5-carbaldehyde
    • SCHEMBL17747530
    • DTXSID80817714
    • 5,6-dihydro-2,6-dipropyl-3-formyl-(2h)-thiin

  • Applications

    2,6-Dipropyl-5,6-dihydro-2H-thiopyran-3-carboxaldehyde (CAS 61407-00-9) is typically used as an intermediate in the synthesis of sulfur-containing aroma compounds and can function as an odorant or fragrance ingredient in perfumery and cosmetic formulations. It may also find use in household products as a scent component or modifier in cleaners and detergents. The aldehyde can be evaluated as a precursor for flavor/aroma applications in food-related contexts, subject to regulatory controls. In industrial manufacturing, it serves as a building block for the preparation of specialty aroma chemicals and related sulfur-containing heterocycles, enabling development of tailored fragrance portfolios.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2060.41
    methanol 1425.44
    isopropanol 1908.7
    water 0.08
    ethyl acetate 3302.87
    n-propanol 1861.19
    acetone 6456.17
    n-butanol 1658.86
    acetonitrile 2899.92
    DMF 5963.12
    toluene 2496.45
    isobutanol 1303.33
    1,4-dioxane 4123.49
    methyl acetate 2688.45
    THF 5671.73
    2-butanone 4027.67
    n-pentanol 784.28
    sec-butanol 1208.12
    n-hexane 50.45
    ethylene glycol 182.51
    NMP 4050.92
    cyclohexane 334.4
    DMSO 4603.86
    n-butyl acetate 1996.28
    n-octanol 344.52
    chloroform 7408.69
    n-propyl acetate 1453.79
    acetic acid 1386.55
    dichloromethane 7558.54
    cyclohexanone 6981.61
    propylene glycol 360.34
    isopropyl acetate 1798.7
    DMAc 2306.55
    2-ethoxyethanol 1083.97
    isopentanol 1192.3
    n-heptane 49.6
    ethyl formate 2067.24
    1,2-dichloroethane 5319.42
    n-hexanol 943.76
    2-methoxyethanol 2364.56
    isobutyl acetate 770.17
    tetrachloromethane 863.07
    n-pentyl acetate 1085.25
    transcutol 4044.23
    n-heptanol 334.6
    ethylbenzene 540.82
    MIBK 1488.91
    2-propoxyethanol 1531.9
    tert-butanol 1536.48
    MTBE 1586.16
    2-butoxyethanol 749.6
    propionic acid 1314.29
    o-xylene 826.04
    formic acid 251.01
    diethyl ether 2075.02
    m-xylene 1137.86
    p-xylene 608.74
    chlorobenzene 3119.83
    dimethyl carbonate 745.7
    n-octane 23.56
    formamide 671.33
    cyclopentanone 6611.27
    2-pentanone 3427.71
    anisole 1065.75
    cyclopentyl methyl ether 2581.27
    gamma-butyrolactone 6073.28
    1-methoxy-2-propanol 1797.44
    pyridine 5874.98
    3-pentanone 1981.18
    furfural 4276.04
    n-dodecane 20.0
    diethylene glycol 822.05
    diisopropyl ether 455.27
    tert-amyl alcohol 907.01
    acetylacetone 3237.94
    n-hexadecane 25.68
    acetophenone 1040.79
    methyl propionate 2212.87
    isopentyl acetate 1443.56
    trichloroethylene 10554.77
    n-nonanol 284.26
    cyclohexanol 1828.92
    benzyl alcohol 965.65
    2-ethylhexanol 472.21
    isooctanol 280.06
    dipropyl ether 633.31
    1,2-dichlorobenzene 1989.31
    ethyl lactate 383.44
    propylene carbonate 2746.25
    n-methylformamide 2624.89
    2-pentanol 1010.49
    n-pentane 81.88
    1-propoxy-2-propanol 1113.85
    1-methoxy-2-propyl acetate 1524.73
    2-(2-methoxypropoxy) propanol 528.31
    mesitylene 578.76
    ε-caprolactone 4279.68
    p-cymene 302.88
    epichlorohydrin 6532.54
    1,1,1-trichloroethane 4693.86
    2-aminoethanol 513.39
    morpholine-4-carbaldehyde 3490.86
    sulfolane 5361.9
    2,2,4-trimethylpentane 44.05
    2-methyltetrahydrofuran 4256.7
    n-hexyl acetate 1249.44
    isooctane 42.54
    2-(2-butoxyethoxy)ethanol 905.06
    sec-butyl acetate 849.69
    tert-butyl acetate 1534.62
    decalin 86.2
    glycerin 426.42
    diglyme 2097.85
    acrylic acid 1067.57
    isopropyl myristate 363.95
    n-butyric acid 2375.97
    acetyl acetate 1439.35
    di(2-ethylhexyl) phthalate 320.37
    ethyl propionate 1043.1
    nitromethane 3783.55
    1,2-diethoxyethane 1618.81
    benzonitrile 2109.37
    trioctyl phosphate 234.42
    1-bromopropane 2375.91
    gamma-valerolactone 7139.49
    n-decanol 198.3
    triethyl phosphate 295.4
    4-methyl-2-pentanol 443.11
    propionitrile 2082.79
    vinylene carbonate 2525.09
    1,1,2-trichlorotrifluoroethane 2528.1
    DMS 904.59
    cumene 260.37
    2-octanol 258.53
    2-hexanone 1372.78
    octyl acetate 458.96
    limonene 499.11
    1,2-dimethoxyethane 2002.48
    ethyl orthosilicate 284.91
    tributyl phosphate 321.45
    diacetone alcohol 1428.08
    N,N-dimethylaniline 496.86
    acrylonitrile 2697.4
    aniline 2131.69
    1,3-propanediol 1045.68
    bromobenzene 3442.52
    dibromomethane 4663.46
    1,1,2,2-tetrachloroethane 6184.02
    2-methyl-cyclohexyl acetate 595.04
    tetrabutyl urea 419.84
    diisobutyl methanol 301.95
    2-phenylethanol 866.36
    styrene 843.74
    dioctyl adipate 494.72
    dimethyl sulfate 1073.11
    ethyl butyrate 964.85
    methyl lactate 611.81
    butyl lactate 658.8
    diethyl carbonate 518.26
    propanediol butyl ether 700.46
    triethyl orthoformate 528.25
    p-tert-butyltoluene 284.34
    methyl 4-tert-butylbenzoate 680.57
    morpholine 5022.34
    tert-butylamine 795.14
    n-dodecanol 145.28
    dimethoxymethane 2566.73
    ethylene carbonate 2131.79
    cyrene 629.99
    2-ethoxyethyl acetate 1612.26
    2-ethylhexyl acetate 1074.05
    1,2,4-trichlorobenzene 2322.96
    4-methylpyridine 5332.33
    dibutyl ether 591.81
    2,6-dimethyl-4-heptanol 301.95
    DEF 2989.16
    dimethyl isosorbide 1215.28
    tetrachloroethylene 3441.86
    eugenol 619.18
    triacetin 892.06
    span 80 558.86
    1,4-butanediol 329.88
    1,1-dichloroethane 5646.97
    2-methyl-1-pentanol 598.25
    methyl formate 1904.69
    2-methyl-1-butanol 1041.46
    n-decane 38.57
    butyronitrile 2704.22
    3,7-dimethyl-1-octanol 368.52
    1-chlorooctane 311.95
    1-chlorotetradecane 98.01
    n-nonane 36.5
    undecane 26.56
    tert-butylcyclohexane 68.12
    cyclooctane 76.1
    cyclopentanol 1794.87
    tetrahydropyran 5066.03
    tert-amyl methyl ether 867.24
    2,5,8-trioxanonane 966.35
    1-hexene 358.33
    2-isopropoxyethanol 694.73
    2,2,2-trifluoroethanol 444.2
    methyl butyrate 1636.5

    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