2-[2-(9,9-Dimethyldecylsulfanyl)ethoxy]ethanol

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  • Identifiers

    CAS number
    9004-83-5

    Molecular formula
    C16H34O2S

    SMILES
    CC(C)(C)CCCCCCCCSCCOCCO

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 48.62%
    Meaty 40.28%
    Fatty 37.09%
    Green 36.23%
    Savory 35.15%
    Waxy 34.4%
    Tropical 27.52%
    Fruity 27.45%
    Woody 25.76%
    Fresh 25.63%

     

    Flavor
    Green 39.96%
    Floral 37.74%
    Waxy 35.23%
    Mild 32.13%
    Fatty 31.29%
    Earthy 28.54%
    Oily 28.37%
    Sulfurous 27.62%
    Mushroom 25.54%
    Delicate 22.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.15 (neutral)

    Molecular weight
    290.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    387°C

    Flash point

    • 167.69 ˚C est.

  • Synonyms

    • 9004-83-5
    • 2-[2-(9,9-dimethyldecylsulfanyl)ethoxy]ethanol
    • SCHEMBL16046448
    • DTXSID00911687
    • RPMGCDFPDJACFM-UHFFFAOYSA-N
    • POE (12) tert-dodecylmercaptoethanol
    • 2-{2-[(9,9-Dimethyldecyl)sulfanyl]ethoxy}ethan-1-ol
    • 110453-36-6
    • 9004-83-5

  • Applications

    For 2-[2-(9,9-Dimethyldecylsulfanyl)ethoxy]ethanol (CAS 9004-83-5), a bulky thioether-containing diol, is commonly used as an intermediate in the synthesis of specialty polymers and nonionic surfactants; it can function as a coupling agent and plasticizing additive in coatings, inks, and adhesives; it may serve as a solvent or processing aid in industrial formulations; in cosmetics and personal care, it can act as an emulsifier or solvent component; in household products and cleaning formulations, it may serve as a surfactant or wetting agent; and in industrial manufacturing, it provides a building block for specialty chemistries featuring polyether/thioether functionalities, with use subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 854.03
    methanol 625.61
    isopropanol 742.47
    water 0.13
    ethyl acetate 762.98
    n-propanol 822.37
    acetone 886.73
    n-butanol 766.43
    acetonitrile 245.57
    DMF 578.81
    toluene 278.11
    isobutanol 638.92
    1,4-dioxane 1185.49
    methyl acetate 495.53
    THF 2122.77
    2-butanone 749.52
    n-pentanol 601.65
    sec-butanol 666.26
    n-hexane 112.36
    ethylene glycol 69.79
    NMP 594.83
    cyclohexane 419.29
    DMSO 1269.81
    n-butyl acetate 887.71
    n-octanol 386.77
    chloroform 1361.08
    n-propyl acetate 901.87
    acetic acid 571.36
    dichloromethane 1088.49
    cyclohexanone 1487.34
    propylene glycol 225.32
    isopropyl acetate 671.38
    DMAc 591.05
    2-ethoxyethanol 972.73
    isopentanol 747.17
    n-heptane 201.63
    ethyl formate 430.5
    1,2-dichloroethane 853.07
    n-hexanol 655.06
    2-methoxyethanol 1091.91
    isobutyl acetate 636.74
    tetrachloromethane 269.51
    n-pentyl acetate 702.49
    transcutol 2781.78
    n-heptanol 422.76
    ethylbenzene 193.21
    MIBK 642.04
    2-propoxyethanol 944.39
    tert-butanol 1014.76
    MTBE 875.13
    2-butoxyethanol 781.2
    propionic acid 438.43
    o-xylene 221.23
    formic acid 101.07
    diethyl ether 760.07
    m-xylene 241.29
    p-xylene 249.59
    chlorobenzene 358.28
    dimethyl carbonate 131.54
    n-octane 68.46
    formamide 147.18
    cyclopentanone 1186.19
    2-pentanone 800.1
    anisole 377.38
    cyclopentyl methyl ether 1135.64
    gamma-butyrolactone 1009.57
    1-methoxy-2-propanol 994.47
    pyridine 616.51
    3-pentanone 512.11
    furfural 764.31
    n-dodecane 31.63
    diethylene glycol 465.13
    diisopropyl ether 308.5
    tert-amyl alcohol 810.39
    acetylacetone 800.84
    n-hexadecane 37.35
    acetophenone 431.73
    methyl propionate 500.89
    isopentyl acetate 820.46
    trichloroethylene 1365.81
    n-nonanol 346.64
    cyclohexanol 1031.06
    benzyl alcohol 333.65
    2-ethylhexanol 559.97
    isooctanol 409.4
    dipropyl ether 840.92
    1,2-dichlorobenzene 369.75
    ethyl lactate 346.91
    propylene carbonate 651.42
    n-methylformamide 307.04
    2-pentanol 588.29
    n-pentane 99.29
    1-propoxy-2-propanol 994.38
    1-methoxy-2-propyl acetate 760.35
    2-(2-methoxypropoxy) propanol 506.66
    mesitylene 191.65
    ε-caprolactone 1182.16
    p-cymene 215.54
    epichlorohydrin 1286.96
    1,1,1-trichloroethane 864.76
    2-aminoethanol 275.6
    morpholine-4-carbaldehyde 897.76
    sulfolane 1331.52
    2,2,4-trimethylpentane 81.09
    2-methyltetrahydrofuran 1411.93
    n-hexyl acetate 752.11
    isooctane 64.63
    2-(2-butoxyethoxy)ethanol 815.44
    sec-butyl acetate 674.68
    tert-butyl acetate 856.52
    decalin 113.62
    glycerin 263.22
    diglyme 1665.93
    acrylic acid 244.2
    isopropyl myristate 268.37
    n-butyric acid 937.72
    acetyl acetate 432.18
    di(2-ethylhexyl) phthalate 205.33
    ethyl propionate 599.54
    nitromethane 729.0
    1,2-diethoxyethane 1040.03
    benzonitrile 376.81
    trioctyl phosphate 184.43
    1-bromopropane 587.32
    gamma-valerolactone 1632.07
    n-decanol 224.4
    triethyl phosphate 295.24
    4-methyl-2-pentanol 404.01
    propionitrile 309.86
    vinylene carbonate 496.33
    1,1,2-trichlorotrifluoroethane 1022.76
    DMS 313.29
    cumene 165.35
    2-octanol 303.72
    2-hexanone 770.15
    octyl acetate 319.04
    limonene 412.93
    1,2-dimethoxyethane 1354.74
    ethyl orthosilicate 340.74
    tributyl phosphate 228.87
    diacetone alcohol 865.18
    N,N-dimethylaniline 271.93
    acrylonitrile 265.18
    aniline 337.16
    1,3-propanediol 524.45
    bromobenzene 379.06
    dibromomethane 805.43
    1,1,2,2-tetrachloroethane 1371.37
    2-methyl-cyclohexyl acetate 606.79
    tetrabutyl urea 290.84
    diisobutyl methanol 355.93
    2-phenylethanol 352.55
    styrene 209.3
    dioctyl adipate 408.95
    dimethyl sulfate 247.19
    ethyl butyrate 767.97
    methyl lactate 259.72
    butyl lactate 520.92
    diethyl carbonate 387.8
    propanediol butyl ether 614.4
    triethyl orthoformate 605.99
    p-tert-butyltoluene 209.09
    methyl 4-tert-butylbenzoate 449.4
    morpholine 1549.67
    tert-butylamine 627.37
    n-dodecanol 157.11
    dimethoxymethane 620.1
    ethylene carbonate 531.8
    cyrene 435.9
    2-ethoxyethyl acetate 754.45
    2-ethylhexyl acetate 671.41
    1,2,4-trichlorobenzene 441.58
    4-methylpyridine 573.55
    dibutyl ether 635.21
    2,6-dimethyl-4-heptanol 355.93
    DEF 671.59
    dimethyl isosorbide 813.31
    tetrachloroethylene 896.34
    eugenol 393.95
    triacetin 681.89
    span 80 518.02
    1,4-butanediol 243.75
    1,1-dichloroethane 790.74
    2-methyl-1-pentanol 523.92
    methyl formate 228.11
    2-methyl-1-butanol 643.23
    n-decane 78.57
    butyronitrile 482.35
    3,7-dimethyl-1-octanol 399.61
    1-chlorooctane 297.55
    1-chlorotetradecane 87.45
    n-nonane 83.07
    undecane 46.43
    tert-butylcyclohexane 104.82
    cyclooctane 122.19
    cyclopentanol 806.85
    tetrahydropyran 1776.21
    tert-amyl methyl ether 633.89
    2,5,8-trioxanonane 878.15
    1-hexene 307.02
    2-isopropoxyethanol 767.2
    2,2,2-trifluoroethanol 179.04
    methyl butyrate 865.17

    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