Diethyl 2,2'-thiodiacetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    925-47-3

    Molecular formula
    C8H14O4S

    SMILES
    CCOC(=O)CSCC(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.91%
    Sulfurous 62.88%
    Tropical 58.74%
    Green 52.89%
    Sweet 36.29%
    Onion 33.43%
    Pineapple 33.1%
    Meaty 31.44%
    Vegetable 28.57%
    Alliaceous 28.31%

     

    Flavor
    Fruity 82.98%
    Fatty 46.57%
    Green 46.47%
    Floral 46.09%
    Citrus 35.48%
    Vegetable 34.49%
    Nutty 34.37%
    Earthy 32.08%
    Meaty 31.91%
    Tropical 31.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.7 (neutral)

    Molecular weight
    206.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    272°C

    Flash point

    • 122.09 ˚C est.

  • Synonyms

    • Diethyl 2,2'-thiodiacetate
    • EINECS 213-117-9
    • DTXSID50239020
    • NSC 12576
    • RefChem:587063
    • DTXCID70161511
    • 213-117-9
    • 925-47-3
    • Diethyl thioglycolate
    • DIETHYL 2,2-THIODIACETATE
    • ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate
    • diethyl 2,2'-sulfanediyldiacetate
    • MFCD00087932
    • Diethyl 2,2'-Thiodiglycolate
    • diethyl thiodiglycolate
    • Ethoxycarbonylmethylsulfanyl-acetic acid ethyl ester
    • 38N3YM4LAK
    • NSC-12576
    • Acetic acid, 2,2'-thiobis-, diethyl ester
    • 3-Thiaglutaric acid diethyl ester
    • NSC12576
    • diethyl thiodiacetate
    • UNII-38N3YM4LAK
    • ethyl 2-(2-ethoxy-2-oxo-ethyl)sulfanylacetate
    • Diethyl thioglycolate, 96%
    • SCHEMBL8544332
    • thiodiacetic acid, diethyl ester
    • STL301892
    • 2,2'-Thiodiacetic Acid Diethyl Ester
    • AKOS008952049
    • CS-W015317
    • 2,2'-Thiodiglycolic Acid Diethyl Ester
    • AS-37625
    • SY051287
    • DB-079342
    • D4147
    • NS00039469
    • 925E473
    • Acetic acid, 2,2'-thiobis-, 1,1'-diethyl ester
    • F049527
    • Diethyl 2,2 inverted exclamation mark -Thiodiglycolate
    • 925-47-3

  • Applications

    Diethyl 2,2'-thiodiacetate (CAS 925-47-3) is primarily used as an organic synthesis intermediate; in polymer chemistry it can function as a crosslinking agent or as a precursor to introduce thioether linkages, enhancing mechanical properties and chemical resistance of plastics and composites; in coatings, inks, and adhesives it is evaluated as a reactive component that participates in curing and improves substrate adhesion; in specialty industrial applications it is studied as a building block for sulfur-containing or thioester derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.35
    methanol 109.15
    isopropanol 38.32
    water 2.59
    ethyl acetate 191.22
    n-propanol 44.97
    acetone 498.89
    n-butanol 37.38
    acetonitrile 284.35
    DMF 1128.29
    toluene 92.21
    isobutanol 32.62
    1,4-dioxane 193.55
    methyl acetate 241.49
    THF 391.63
    2-butanone 224.04
    n-pentanol 34.37
    sec-butanol 39.2
    n-hexane 11.67
    ethylene glycol 40.04
    NMP 1544.69
    cyclohexane 17.6
    DMSO 1348.95
    n-butyl acetate 98.31
    n-octanol 33.11
    chloroform 528.7
    n-propyl acetate 121.2
    acetic acid 585.63
    dichloromethane 629.16
    cyclohexanone 437.28
    propylene glycol 42.9
    isopropyl acetate 98.51
    DMAc 983.31
    2-ethoxyethanol 114.78
    isopentanol 33.01
    n-heptane 6.87
    ethyl formate 154.81
    1,2-dichloroethane 392.03
    n-hexanol 27.31
    2-methoxyethanol 194.62
    isobutyl acetate 61.97
    tetrachloromethane 41.57
    n-pentyl acetate 74.83
    transcutol 393.96
    n-heptanol 17.91
    ethylbenzene 60.35
    MIBK 76.99
    2-propoxyethanol 97.37
    tert-butanol 59.66
    MTBE 58.3
    2-butoxyethanol 56.3
    propionic acid 229.86
    o-xylene 80.97
    formic acid 259.69
    diethyl ether 71.69
    m-xylene 65.61
    p-xylene 81.38
    chlorobenzene 222.97
    dimethyl carbonate 128.08
    n-octane 3.79
    formamide 416.05
    cyclopentanone 691.3
    2-pentanone 164.42
    anisole 149.73
    cyclopentyl methyl ether 172.86
    gamma-butyrolactone 965.69
    1-methoxy-2-propanol 144.79
    pyridine 377.97
    3-pentanone 176.26
    furfural 866.77
    n-dodecane 3.9
    diethylene glycol 103.18
    diisopropyl ether 21.94
    tert-amyl alcohol 54.8
    acetylacetone 350.21
    n-hexadecane 4.61
    acetophenone 236.7
    methyl propionate 222.96
    isopentyl acetate 75.52
    trichloroethylene 890.43
    n-nonanol 31.09
    cyclohexanol 74.22
    benzyl alcohol 130.64
    2-ethylhexanol 27.96
    isooctanol 17.32
    dipropyl ether 48.84
    1,2-dichlorobenzene 251.11
    ethyl lactate 82.45
    propylene carbonate 391.13
    n-methylformamide 402.77
    2-pentanol 27.21
    n-pentane 6.92
    1-propoxy-2-propanol 77.02
    1-methoxy-2-propyl acetate 125.46
    2-(2-methoxypropoxy) propanol 120.1
    mesitylene 39.75
    ε-caprolactone 396.56
    p-cymene 32.15
    epichlorohydrin 562.26
    1,1,1-trichloroethane 242.57
    2-aminoethanol 57.27
    morpholine-4-carbaldehyde 739.86
    sulfolane 1383.24
    2,2,4-trimethylpentane 5.81
    2-methyltetrahydrofuran 230.89
    n-hexyl acetate 109.92
    isooctane 2.93
    2-(2-butoxyethoxy)ethanol 120.61
    sec-butyl acetate 68.5
    tert-butyl acetate 102.27
    decalin 14.84
    glycerin 106.66
    diglyme 250.03
    acrylic acid 350.02
    isopropyl myristate 45.09
    n-butyric acid 180.57
    acetyl acetate 205.57
    di(2-ethylhexyl) phthalate 59.63
    ethyl propionate 133.67
    nitromethane 1294.28
    1,2-diethoxyethane 108.79
    benzonitrile 210.56
    trioctyl phosphate 36.03
    1-bromopropane 125.3
    gamma-valerolactone 810.81
    n-decanol 22.78
    triethyl phosphate 73.18
    4-methyl-2-pentanol 17.53
    propionitrile 124.98
    vinylene carbonate 424.88
    1,1,2-trichlorotrifluoroethane 547.98
    DMS 182.8
    cumene 42.39
    2-octanol 17.46
    2-hexanone 107.65
    octyl acetate 58.26
    limonene 44.26
    1,2-dimethoxyethane 239.35
    ethyl orthosilicate 58.65
    tributyl phosphate 57.52
    diacetone alcohol 123.3
    N,N-dimethylaniline 141.15
    acrylonitrile 283.28
    aniline 146.11
    1,3-propanediol 64.93
    bromobenzene 224.14
    dibromomethane 363.12
    1,1,2,2-tetrachloroethane 592.35
    2-methyl-cyclohexyl acetate 85.55
    tetrabutyl urea 88.83
    diisobutyl methanol 19.8
    2-phenylethanol 75.0
    styrene 88.95
    dioctyl adipate 98.94
    dimethyl sulfate 407.56
    ethyl butyrate 97.57
    methyl lactate 135.5
    butyl lactate 77.26
    diethyl carbonate 78.06
    propanediol butyl ether 76.11
    triethyl orthoformate 73.16
    p-tert-butyltoluene 29.03
    methyl 4-tert-butylbenzoate 134.27
    morpholine 235.58
    tert-butylamine 34.9
    n-dodecanol 17.77
    dimethoxymethane 232.68
    ethylene carbonate 270.47
    cyrene 206.97
    2-ethoxyethyl acetate 128.88
    2-ethylhexyl acetate 65.87
    1,2,4-trichlorobenzene 316.34
    4-methylpyridine 375.12
    dibutyl ether 55.29
    2,6-dimethyl-4-heptanol 19.8
    DEF 308.83
    dimethyl isosorbide 248.5
    tetrachloroethylene 337.23
    eugenol 126.85
    triacetin 207.12
    span 80 101.81
    1,4-butanediol 34.39
    1,1-dichloroethane 257.11
    2-methyl-1-pentanol 35.26
    methyl formate 324.46
    2-methyl-1-butanol 34.81
    n-decane 6.55
    butyronitrile 99.37
    3,7-dimethyl-1-octanol 34.21
    1-chlorooctane 31.58
    1-chlorotetradecane 14.05
    n-nonane 6.22
    undecane 4.82
    tert-butylcyclohexane 10.63
    cyclooctane 6.86
    cyclopentanol 98.98
    tetrahydropyran 154.93
    tert-amyl methyl ether 62.88
    2,5,8-trioxanonane 203.58
    1-hexene 36.94
    2-isopropoxyethanol 73.54
    2,2,2-trifluoroethanol 263.67
    methyl butyrate 172.44

    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