2,2-Diethoxy-ethanethiol

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  • Identifiers

    CAS number
    53608-94-9

    Molecular formula
    C6H14O2S

    SMILES
    CCOC(CS)OCC

  • Odor profile

    Fragrance
    Meaty 53.12%
    Sulfurous 50.92%
    Fruity 38.9%
    Onion 33.36%
    Savory 33.27%
    Roasted 30.12%
    Ethereal 28.92%
    Pungent 27.05%
    Nutty 24.76%
    Cooked 24.57%

     

    Flavor
    Vegetable 45.33%
    Sulfurous 40.6%
    Fatty 39.09%
    Fruity 38.6%
    Onion 35.18%
    Sweet 34.24%
    Green 32.68%
    Earthy 31.17%
    Sulfury 30.8%
    Alcoholic 28.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.63 (neutral)

    Molecular weight
    150.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 43.84 ˚C est.

  • Synonyms

    • 2,2-diethoxyethanethiol
    • 53608-94-9
    • 2,2-diethoxy-ethanethiol
    • 1,1-Diethoxyethane-2-thiol
    • DTXSID60449113
    • 2,2-diethoxy-ethane-thiol
    • (2,2-diethoxyethyl)sulfane
    • 2,2-diethoxy-ethylmercaptan
    • HSCH2CH(OC2H5)2
    • 2,2-diethoxyethane-1-thiol
    • SCHEMBL1032455
    • DTXCID30399934
    • GUTQTHVYODVCQP-UHFFFAOYSA-N
    • EN300-1739433

  • Applications

    2,2-Diethoxy-ethanethiol is primarily used as an organic synthesis intermediate and as a reagent in carbonyl protection chemistry. It can participate in thioacetal formation to protect aldehydes/ketones, enabling subsequent transformations. The thiol functionality also makes it suitable as a reactive crosslinker or chain-transfer agent in polymerization, coatings, and adhesive formulations, contributing to controlled curing and network formation. In coatings and inks, it may serve as a thiol component that participates in thiol-ene and related curing chemistries. It may also be evaluated as a processing additive or precursor for further chemical modification in specialty chemical synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 501.55
    methanol 868.54
    isopropanol 405.02
    water 11.36
    ethyl acetate 378.02
    n-propanol 436.72
    acetone 634.85
    n-butanol 355.66
    acetonitrile 694.71
    DMF 859.86
    toluene 259.74
    isobutanol 337.96
    1,4-dioxane 798.15
    methyl acetate 489.58
    THF 941.51
    2-butanone 482.51
    n-pentanol 298.56
    sec-butanol 412.49
    n-hexane 147.09
    ethylene glycol 236.44
    NMP 885.15
    cyclohexane 294.6
    DMSO 987.76
    n-butyl acetate 318.58
    n-octanol 248.09
    chloroform 2038.45
    n-propyl acetate 312.29
    acetic acid 922.7
    dichloromethane 2046.89
    cyclohexanone 823.27
    propylene glycol 227.66
    isopropyl acetate 222.94
    DMAc 763.15
    2-ethoxyethanol 461.93
    isopentanol 250.52
    n-heptane 149.19
    ethyl formate 366.28
    1,2-dichloroethane 939.12
    n-hexanol 295.61
    2-methoxyethanol 670.78
    isobutyl acetate 205.15
    tetrachloromethane 445.56
    n-pentyl acetate 275.58
    transcutol 675.29
    n-heptanol 185.12
    ethylbenzene 188.5
    MIBK 183.55
    2-propoxyethanol 415.65
    tert-butanol 407.38
    MTBE 326.04
    2-butoxyethanol 278.93
    propionic acid 503.3
    o-xylene 216.17
    formic acid 317.08
    diethyl ether 379.53
    m-xylene 160.66
    p-xylene 297.04
    chlorobenzene 491.38
    dimethyl carbonate 157.72
    n-octane 62.45
    formamide 331.11
    cyclopentanone 846.25
    2-pentanone 329.78
    anisole 314.54
    cyclopentyl methyl ether 427.64
    gamma-butyrolactone 925.86
    1-methoxy-2-propanol 424.84
    pyridine 806.36
    3-pentanone 338.41
    furfural 925.3
    n-dodecane 53.45
    diethylene glycol 360.58
    diisopropyl ether 116.23
    tert-amyl alcohol 382.09
    acetylacetone 391.26
    n-hexadecane 58.97
    acetophenone 346.52
    methyl propionate 331.34
    isopentyl acetate 250.15
    trichloroethylene 1570.91
    n-nonanol 205.58
    cyclohexanol 449.83
    benzyl alcohol 311.27
    2-ethylhexanol 221.66
    isooctanol 151.8
    dipropyl ether 300.35
    1,2-dichlorobenzene 483.27
    ethyl lactate 190.21
    propylene carbonate 510.44
    n-methylformamide 468.44
    2-pentanol 238.03
    n-pentane 130.63
    1-propoxy-2-propanol 310.68
    1-methoxy-2-propyl acetate 248.92
    2-(2-methoxypropoxy) propanol 248.97
    mesitylene 114.87
    ε-caprolactone 631.62
    p-cymene 150.6
    epichlorohydrin 912.19
    1,1,1-trichloroethane 888.83
    2-aminoethanol 326.85
    morpholine-4-carbaldehyde 795.98
    sulfolane 1034.08
    2,2,4-trimethylpentane 66.12
    2-methyltetrahydrofuran 695.14
    n-hexyl acetate 380.23
    isooctane 36.54
    2-(2-butoxyethoxy)ethanol 296.05
    sec-butyl acetate 190.81
    tert-butyl acetate 209.31
    decalin 107.97
    glycerin 327.17
    diglyme 659.19
    acrylic acid 521.0
    isopropyl myristate 162.15
    n-butyric acid 454.19
    acetyl acetate 313.91
    di(2-ethylhexyl) phthalate 159.11
    ethyl propionate 267.4
    nitromethane 998.15
    1,2-diethoxyethane 337.56
    benzonitrile 479.1
    trioctyl phosphate 125.27
    1-bromopropane 607.68
    gamma-valerolactone 846.18
    n-decanol 150.81
    triethyl phosphate 170.8
    4-methyl-2-pentanol 125.23
    propionitrile 496.08
    vinylene carbonate 542.25
    1,1,2-trichlorotrifluoroethane 815.75
    DMS 274.21
    cumene 140.85
    2-octanol 163.0
    2-hexanone 324.43
    octyl acetate 201.85
    limonene 235.1
    1,2-dimethoxyethane 800.19
    ethyl orthosilicate 158.01
    tributyl phosphate 148.76
    diacetone alcohol 232.32
    N,N-dimethylaniline 257.07
    acrylonitrile 620.47
    aniline 322.63
    1,3-propanediol 352.87
    bromobenzene 538.54
    dibromomethane 1364.06
    1,1,2,2-tetrachloroethane 1322.8
    2-methyl-cyclohexyl acetate 245.29
    tetrabutyl urea 199.12
    diisobutyl methanol 130.8
    2-phenylethanol 252.9
    styrene 258.37
    dioctyl adipate 245.75
    dimethyl sulfate 288.15
    ethyl butyrate 290.57
    methyl lactate 225.92
    butyl lactate 204.25
    diethyl carbonate 228.22
    propanediol butyl ether 264.13
    triethyl orthoformate 222.95
    p-tert-butyltoluene 136.63
    methyl 4-tert-butylbenzoate 265.84
    morpholine 774.28
    tert-butylamine 313.75
    n-dodecanol 123.27
    dimethoxymethane 436.38
    ethylene carbonate 415.64
    cyrene 301.63
    2-ethoxyethyl acetate 286.36
    2-ethylhexyl acetate 220.01
    1,2,4-trichlorobenzene 595.75
    4-methylpyridine 699.97
    dibutyl ether 297.55
    2,6-dimethyl-4-heptanol 130.8
    DEF 466.02
    dimethyl isosorbide 400.67
    tetrachloroethylene 974.97
    eugenol 268.61
    triacetin 359.51
    span 80 262.26
    1,4-butanediol 227.36
    1,1-dichloroethane 905.84
    2-methyl-1-pentanol 244.08
    methyl formate 394.31
    2-methyl-1-butanol 284.82
    n-decane 82.38
    butyronitrile 441.61
    3,7-dimethyl-1-octanol 203.94
    1-chlorooctane 225.88
    1-chlorotetradecane 102.6
    n-nonane 87.13
    undecane 62.9
    tert-butylcyclohexane 91.98
    cyclooctane 87.18
    cyclopentanol 526.38
    tetrahydropyran 744.71
    tert-amyl methyl ether 269.2
    2,5,8-trioxanonane 441.96
    1-hexene 303.06
    2-isopropoxyethanol 316.08
    2,2,2-trifluoroethanol 304.95
    methyl butyrate 380.57

    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