2-(Decylthio)ethanol

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  • Identifiers

    CAS number
    41891-88-7

    Molecular formula
    C12H26OS

    SMILES
    CCCCCCCCCCSCCO

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 67.16%
    Meaty 60.68%
    Fatty 55.94%
    Savory 46.69%
    Roasted 38.33%
    Citrus 37.96%
    Vegetable 37.61%
    Fruity 36.97%
    Onion 35.39%
    Alliaceous 34.7%

     

    Flavor
    Fatty 41.63%
    Waxy 34.98%
    Sulfurous 34.35%
    Fat 29.1%
    Green 26.85%
    Mild 26.22%
    Sulfury 24.97%
    Burnt 24.74%
    Skunky 24.48%
    Violet-leaf 24.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.63 (neutral)

    Molecular weight
    218.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 145.01 ˚C est.

  • Synonyms

    • 41891-88-7
    • 2-(Decylthio)ethanol
    • Ethanol, 2-decylthio-
    • 2-Decylthio-ethanol
    • Decyl 2-hydroxyethyl sulfide
    • 2-Hydroxyethyl decyl sulfide
    • N56NUV4YDP
    • NSC-84188
    • DTXSID10194666
    • RefChem:1061548
    • DTXCID50117157
    • 255-576-8
    • 2-Decylthioethanol
    • 2-(decylthio)ethan-1-ol
    • Ethanol, 2-(decylthio)-
    • 2-N-Decylthioethanol
    • n-DECYL 2-HYDROXYETHYL SULFIDE
    • 2-(DECYLSULFANYL)ETHAN-1-OL
    • 2-decylthioethan-1-ol
    • 2-decylsulfanylethanol
    • 2-(decylsulfanyl)ethanol
    • EINECS 255-576-8
    • NSC 84188
    • BRN 1849711
    • UNII-N56NUV4YDP
    • SCHEMBL388197
    • SCHEMBL9453045
    • WLN: Q2S10
    • NSC84188
    • 2-(DECYLSULFANYL)-1-ETHANOL
    • SBB019381
    • STK675269
    • AKOS001748750
    • ST4045601
    • CS-0364796
    • NS00031063
    • H39839
    • 41891-88-7

  • Applications

    2-(Decylthio)ethanol, CAS 41891-88-7, is a thioether-containing alcohol with a long decyl chain and a reactive hydroxyl group; it is commonly evaluated as an intermediate and building block in industrial applications, including the synthesis of thioether-containing polymers and specialty coatings; it may serve as a fragrance or cosmetic ingredient precursor; it can function as a nonionic surfactant or co-surfactant in household products and personal care formulations; it can be used as a solvent or co-solvent in chemical manufacturing; and it is considered as a precursor for lubricant additives or surface-active agents, as well as for polymer modification or adhesive formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5011.88
    methanol 3084.01
    isopropanol 5288.27
    water 0.02
    ethyl acetate 3499.89
    n-propanol 4547.79
    acetone 7421.44
    n-butanol 4104.96
    acetonitrile 1575.52
    DMF 3232.24
    toluene 938.1
    isobutanol 3340.07
    1,4-dioxane 4855.42
    methyl acetate 2089.32
    THF 11200.26
    2-butanone 4393.4
    n-pentanol 2497.29
    sec-butanol 3365.1
    n-hexane 846.55
    ethylene glycol 226.44
    NMP 2045.77
    cyclohexane 2103.75
    DMSO 8599.77
    n-butyl acetate 3748.62
    n-octanol 855.76
    chloroform 3689.75
    n-propyl acetate 3159.22
    acetic acid 1762.23
    dichloromethane 3611.81
    cyclohexanone 6923.91
    propylene glycol 674.01
    isopropyl acetate 2370.36
    DMAc 1705.81
    2-ethoxyethanol 2857.4
    isopentanol 3157.52
    n-heptane 876.04
    ethyl formate 1538.61
    1,2-dichloroethane 3665.92
    n-hexanol 2433.29
    2-methoxyethanol 4467.32
    isobutyl acetate 1621.57
    tetrachloromethane 883.65
    n-pentyl acetate 1924.77
    transcutol 6701.32
    n-heptanol 1026.64
    ethylbenzene 495.2
    MIBK 2336.48
    2-propoxyethanol 2993.24
    tert-butanol 5536.84
    MTBE 3865.2
    2-butoxyethanol 1732.12
    propionic acid 1646.23
    o-xylene 539.53
    formic acid 200.85
    diethyl ether 5160.09
    m-xylene 618.33
    p-xylene 594.98
    chlorobenzene 1087.42
    dimethyl carbonate 344.22
    n-octane 219.64
    formamide 485.89
    cyclopentanone 6350.11
    2-pentanone 5017.5
    anisole 904.19
    cyclopentyl methyl ether 4856.53
    gamma-butyrolactone 4278.32
    1-methoxy-2-propanol 3846.78
    pyridine 2962.7
    3-pentanone 2430.65
    furfural 2250.7
    n-dodecane 79.38
    diethylene glycol 1211.98
    diisopropyl ether 1303.88
    tert-amyl alcohol 2993.08
    acetylacetone 3118.41
    n-hexadecane 97.7
    acetophenone 890.17
    methyl propionate 1945.24
    isopentyl acetate 2582.09
    trichloroethylene 4179.18
    n-nonanol 747.42
    cyclohexanol 3725.5
    benzyl alcohol 796.57
    2-ethylhexanol 1596.35
    isooctanol 895.16
    dipropyl ether 4096.81
    1,2-dichlorobenzene 912.01
    ethyl lactate 662.85
    propylene carbonate 1874.45
    n-methylformamide 1602.61
    2-pentanol 2944.3
    n-pentane 687.64
    1-propoxy-2-propanol 3098.48
    1-methoxy-2-propyl acetate 2022.49
    2-(2-methoxypropoxy) propanol 803.0
    mesitylene 423.8
    ε-caprolactone 4093.37
    p-cymene 448.24
    epichlorohydrin 4772.0
    1,1,1-trichloroethane 3011.66
    2-aminoethanol 998.94
    morpholine-4-carbaldehyde 2652.16
    sulfolane 4780.9
    2,2,4-trimethylpentane 208.32
    2-methyltetrahydrofuran 7175.28
    n-hexyl acetate 1798.72
    isooctane 183.21
    2-(2-butoxyethoxy)ethanol 1560.65
    sec-butyl acetate 1800.49
    tert-butyl acetate 2609.44
    decalin 329.9
    glycerin 648.64
    diglyme 3785.53
    acrylic acid 745.61
    isopropyl myristate 582.52
    n-butyric acid 3947.66
    acetyl acetate 1222.24
    di(2-ethylhexyl) phthalate 341.28
    ethyl propionate 1933.41
    nitromethane 2814.43
    1,2-diethoxyethane 3934.51
    benzonitrile 1034.11
    trioctyl phosphate 339.38
    1-bromopropane 3147.87
    gamma-valerolactone 6189.67
    n-decanol 482.47
    triethyl phosphate 627.76
    4-methyl-2-pentanol 1281.86
    propionitrile 1743.74
    vinylene carbonate 1259.31
    1,1,2-trichlorotrifluoroethane 2529.72
    DMS 625.64
    cumene 322.05
    2-octanol 737.55
    2-hexanone 3199.45
    octyl acetate 675.38
    limonene 1099.31
    1,2-dimethoxyethane 5243.82
    ethyl orthosilicate 719.3
    tributyl phosphate 456.4
    diacetone alcohol 2502.94
    N,N-dimethylaniline 539.91
    acrylonitrile 1383.25
    aniline 1121.08
    1,3-propanediol 2110.45
    bromobenzene 1135.96
    dibromomethane 3054.87
    1,1,2,2-tetrachloroethane 3944.53
    2-methyl-cyclohexyl acetate 1241.28
    tetrabutyl urea 599.87
    diisobutyl methanol 968.69
    2-phenylethanol 887.15
    styrene 630.53
    dioctyl adipate 739.42
    dimethyl sulfate 618.23
    ethyl butyrate 2488.06
    methyl lactate 622.77
    butyl lactate 1109.75
    diethyl carbonate 998.77
    propanediol butyl ether 1173.77
    triethyl orthoformate 1552.62
    p-tert-butyltoluene 428.11
    methyl 4-tert-butylbenzoate 735.07
    morpholine 7393.79
    tert-butylamine 3450.69
    n-dodecanol 340.87
    dimethoxymethane 2776.81
    ethylene carbonate 1467.29
    cyrene 719.21
    2-ethoxyethyl acetate 1830.54
    2-ethylhexyl acetate 2025.54
    1,2,4-trichlorobenzene 982.24
    4-methylpyridine 2408.43
    dibutyl ether 2303.73
    2,6-dimethyl-4-heptanol 968.69
    DEF 3152.04
    dimethyl isosorbide 1479.33
    tetrachloroethylene 2716.16
    eugenol 628.32
    triacetin 1088.85
    span 80 935.46
    1,4-butanediol 680.73
    1,1-dichloroethane 3546.37
    2-methyl-1-pentanol 1667.44
    methyl formate 860.01
    2-methyl-1-butanol 2535.09
    n-decane 214.33
    butyronitrile 2739.16
    3,7-dimethyl-1-octanol 923.8
    1-chlorooctane 767.18
    1-chlorotetradecane 206.49
    n-nonane 255.02
    undecane 120.62
    tert-butylcyclohexane 275.75
    cyclooctane 445.39
    cyclopentanol 3792.5
    tetrahydropyran 10090.05
    tert-amyl methyl ether 2210.42
    2,5,8-trioxanonane 1641.56
    1-hexene 2128.82
    2-isopropoxyethanol 1910.79
    2,2,2-trifluoroethanol 353.78
    methyl butyrate 2933.23

    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