3-(Methylthio)-decanal

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  • Identifiers

    CAS number
    1256932-15-6

    Molecular formula
    C11H22OS

    SMILES
    CCCCCCCC(CC=O)SC

  • Odor profile

    Fragrance
    Fatty 70.44%
    Citrus 57.38%
    Meaty 55.71%
    Green 55.67%
    Savory 42.76%
    Roasted 41.23%
    Sulfurous 38.63%
    Fruity 37.44%
    Vegetable 33.97%
    Grapefruit 31.78%

     

    Flavor
    Green 52.63%
    Waxy 30.44%
    Metallic 30.04%
    Sulfurous 29.08%
    Fatty 25.96%
    Herbal 25.83%
    Tropical 23.77%
    Melon 23.59%
    Fresh 23.09%
    Violet-leaf 22.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.25 (neutral)

    Molecular weight
    202.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point

    • 117.87 ˚C est.

  • Synonyms

    • 3-(Methylthio)decanal
    • 3-(Methylthio)-decanal
    • Fema No. 4734
    • G7N50R9UNW
    • 1256932-15-6
    • 3-(METHYLSULFANYL)DECANAL
    • DTXSID001020128
    • starbld0001889
    • UNII-G7N50R9UNW
    • SCHEMBL17941534
    • 3-(Methylthio)decanal, >=90%
    • DTXCID201477969
    • NS00126529

  • Applications

    3-(Methylthio)-decanal (CAS 1256932-15-6) is primarily used as a fragrance-related intermediate and odorant in the perfumery industry, where its sulfur-containing aldehyde structure can contribute distinctive green-to-spicy notes and serve as a building block for additional aroma compounds. It is commonly evaluated for use in cosmetics and personal care formulations as a fragrance ingredient, adding characteristic odor profiles to products such as lotions, soaps, and shampoos. In household products, it may function as an odorant or fragrance component in air fresheners and cleaners, helping to impart a lasting scent. In the flavor/aroma sector, it can be used as an aroma intermediate or precursor for sulfur-containing flavor compounds, subject to formulation and regulatory constraints. In industrial manufacturing, it serves as a chemical building block in the synthesis of sulfur-containing aroma chemistries and related intermediates for fragrance portfolios.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7092.89
    methanol 5069.46
    isopropanol 6444.89
    water 0.03
    ethyl acetate 8190.91
    n-propanol 5696.87
    acetone 16107.41
    n-butanol 4871.2
    acetonitrile 5453.44
    DMF 8032.47
    toluene 2783.05
    isobutanol 3845.91
    1,4-dioxane 8914.1
    methyl acetate 5063.79
    THF 13873.89
    2-butanone 9558.11
    n-pentanol 2872.16
    sec-butanol 4056.61
    n-hexane 719.48
    ethylene glycol 368.2
    NMP 4198.64
    cyclohexane 1850.05
    DMSO 11401.69
    n-butyl acetate 5740.5
    n-octanol 775.53
    chloroform 8829.86
    n-propyl acetate 4740.14
    acetic acid 2870.19
    dichloromethane 9194.63
    cyclohexanone 12693.18
    propylene glycol 914.11
    isopropyl acetate 4446.88
    DMAc 3532.53
    2-ethoxyethanol 3559.17
    isopentanol 3716.35
    n-heptane 421.9
    ethyl formate 3667.82
    1,2-dichloroethane 8566.54
    n-hexanol 2826.71
    2-methoxyethanol 6539.02
    isobutyl acetate 2177.48
    tetrachloromethane 1623.66
    n-pentyl acetate 2354.53
    transcutol 9471.05
    n-heptanol 858.04
    ethylbenzene 983.43
    MIBK 3523.18
    2-propoxyethanol 4033.05
    tert-butanol 6408.94
    MTBE 5858.03
    2-butoxyethanol 1756.77
    propionic acid 2854.9
    o-xylene 1199.0
    formic acid 459.22
    diethyl ether 9138.88
    m-xylene 1472.68
    p-xylene 1201.3
    chlorobenzene 3295.37
    dimethyl carbonate 879.58
    n-octane 128.39
    formamide 1139.32
    cyclopentanone 10456.65
    2-pentanone 9133.51
    anisole 1946.6
    cyclopentyl methyl ether 6773.64
    gamma-butyrolactone 8084.0
    1-methoxy-2-propanol 5192.43
    pyridine 7631.74
    3-pentanone 4651.72
    furfural 5215.52
    n-dodecane 60.45
    diethylene glycol 1936.02
    diisopropyl ether 1749.83
    tert-amyl alcohol 3634.64
    acetylacetone 6528.56
    n-hexadecane 77.07
    acetophenone 1694.35
    methyl propionate 4343.55
    isopentyl acetate 3764.1
    trichloroethylene 11010.37
    n-nonanol 644.25
    cyclohexanol 4939.51
    benzyl alcohol 1509.48
    2-ethylhexanol 1563.11
    isooctanol 720.12
    dipropyl ether 3169.76
    1,2-dichlorobenzene 2354.6
    ethyl lactate 932.06
    propylene carbonate 3662.44
    n-methylformamide 3868.69
    2-pentanol 3322.01
    n-pentane 589.86
    1-propoxy-2-propanol 3501.69
    1-methoxy-2-propyl acetate 3658.38
    2-(2-methoxypropoxy) propanol 1111.91
    mesitylene 857.55
    ε-caprolactone 7347.17
    p-cymene 574.94
    epichlorohydrin 9402.99
    1,1,1-trichloroethane 7878.72
    2-aminoethanol 1388.44
    morpholine-4-carbaldehyde 4921.02
    sulfolane 7920.66
    2,2,4-trimethylpentane 173.88
    2-methyltetrahydrofuran 10437.66
    n-hexyl acetate 2336.87
    isooctane 165.57
    2-(2-butoxyethoxy)ethanol 1894.01
    sec-butyl acetate 2686.79
    tert-butyl acetate 4110.16
    decalin 360.62
    glycerin 890.19
    diglyme 4770.24
    acrylic acid 1625.84
    isopropyl myristate 733.08
    n-butyric acid 6138.59
    acetyl acetate 2803.98
    di(2-ethylhexyl) phthalate 470.44
    ethyl propionate 3280.32
    nitromethane 6526.15
    1,2-diethoxyethane 5154.97
    benzonitrile 2647.77
    trioctyl phosphate 402.55
    1-bromopropane 5644.07
    gamma-valerolactone 11432.05
    n-decanol 438.07
    triethyl phosphate 723.12
    4-methyl-2-pentanol 1363.54
    propionitrile 4392.94
    vinylene carbonate 2953.33
    1,1,2-trichlorotrifluoroethane 4247.67
    DMS 1291.76
    cumene 514.99
    2-octanol 651.94
    2-hexanone 4785.81
    octyl acetate 840.65
    limonene 1225.16
    1,2-dimethoxyethane 6816.64
    ethyl orthosilicate 759.96
    tributyl phosphate 566.35
    diacetone alcohol 3420.45
    N,N-dimethylaniline 933.71
    acrylonitrile 4143.38
    aniline 2815.98
    1,3-propanediol 2704.66
    bromobenzene 3577.37
    dibromomethane 6898.05
    1,1,2,2-tetrachloroethane 8914.96
    2-methyl-cyclohexyl acetate 1477.42
    tetrabutyl urea 724.9
    diisobutyl methanol 894.64
    2-phenylethanol 1567.26
    styrene 1489.91
    dioctyl adipate 984.05
    dimethyl sulfate 1260.73
    ethyl butyrate 3105.39
    methyl lactate 1081.92
    butyl lactate 1319.39
    diethyl carbonate 1417.25
    propanediol butyl ether 1287.71
    triethyl orthoformate 1662.23
    p-tert-butyltoluene 567.1
    methyl 4-tert-butylbenzoate 1056.5
    morpholine 12206.49
    tert-butylamine 3680.33
    n-dodecanol 318.45
    dimethoxymethane 4821.15
    ethylene carbonate 3010.04
    cyrene 1002.08
    2-ethoxyethyl acetate 2852.19
    2-ethylhexyl acetate 2764.36
    1,2,4-trichlorobenzene 2495.58
    4-methylpyridine 6986.82
    dibutyl ether 2185.51
    2,6-dimethyl-4-heptanol 894.64
    DEF 6304.23
    dimethyl isosorbide 2209.78
    tetrachloroethylene 5594.26
    eugenol 919.51
    triacetin 1487.0
    span 80 1124.07
    1,4-butanediol 863.16
    1,1-dichloroethane 9426.45
    2-methyl-1-pentanol 1979.16
    methyl formate 2166.81
    2-methyl-1-butanol 3065.11
    n-decane 143.95
    butyronitrile 6135.16
    3,7-dimethyl-1-octanol 880.03
    1-chlorooctane 758.47
    1-chlorotetradecane 218.47
    n-nonane 162.14
    undecane 86.87
    tert-butylcyclohexane 282.22
    cyclooctane 389.51
    cyclopentanol 4509.61
    tetrahydropyran 15392.35
    tert-amyl methyl ether 3132.29
    2,5,8-trioxanonane 2055.99
    1-hexene 2877.15
    2-isopropoxyethanol 2317.1
    2,2,2-trifluoroethanol 645.09
    methyl butyrate 4929.09

    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