S-(acetylsulfanylmethyl) ethanethioate

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  • Identifiers

    CAS number
    2506-35-6

    Molecular formula
    C5H8O2S2

    SMILES
    CC(=O)SCSC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 89.42%
    Meaty 62.26%
    Tropical 61.29%
    Onion 60.95%
    Fruity 58.98%
    Green 55.68%
    Garlic 53.88%
    Alliaceous 53.74%
    Vegetable 49.1%
    Roasted 46.89%

     

    Flavor
    Onion 51.21%
    Garlic 46.2%
    Sulfury 46.04%
    Sulfurous 45.99%
    Cabbage 39.78%
    Meaty 39.3%
    Cooked 39.03%
    Roasted 36.94%
    Nutty 32.39%
    Sulfur 31.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.12 (neutral)

    Molecular weight
    164.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 106.27 ˚C est.

  • Synonyms

    • 2506-35-6
    • S-(acetylsulfanylmethyl) ethanethioate
    • S,S'-Methylene diethanethioate
    • SCHEMBL2077205
    • SCHEMBL6444227
    • SCHEMBL8535498
    • DTXSID801020146
    • NS00126008
    • 2506-35-6

  • Applications

    S-(acetylsulfanylmethyl) ethanethioate (CAS 2506-35-6) is primarily used as a reactive sulfur-containing building block in organic synthesis, commonly employed as an intermediate for preparing sulfur-containing compounds; it may serve as a precursor in fragrance chemistry, and as a functional reagent in polymer and plastics chemistry to introduce thioester or thioether linkages; in pharmaceutical research it can be considered as an intermediate for sulfur-containing scaffolds; and in coatings, inks, and cleaning formulations it is often used as a chemical intermediate or formulation additive depending on the system.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.86
    methanol 382.9
    isopropanol 155.72
    water 47.99
    ethyl acetate 313.02
    n-propanol 133.79
    acetone 725.75
    n-butanol 116.66
    acetonitrile 602.02
    DMF 1028.32
    toluene 150.27
    isobutanol 96.52
    1,4-dioxane 869.68
    methyl acetate 459.81
    THF 856.23
    2-butanone 368.49
    n-pentanol 77.75
    sec-butanol 125.98
    n-hexane 24.49
    ethylene glycol 88.58
    NMP 1343.34
    cyclohexane 59.46
    DMSO 711.9
    n-butyl acetate 133.58
    n-octanol 92.22
    chloroform 787.71
    n-propyl acetate 180.94
    acetic acid 457.17
    dichloromethane 787.99
    cyclohexanone 650.3
    propylene glycol 88.72
    isopropyl acetate 166.14
    DMAc 970.07
    2-ethoxyethanol 207.97
    isopentanol 87.36
    n-heptane 23.39
    ethyl formate 305.96
    1,2-dichloroethane 365.87
    n-hexanol 72.52
    2-methoxyethanol 380.77
    isobutyl acetate 101.3
    tetrachloromethane 117.52
    n-pentyl acetate 136.0
    transcutol 490.87
    n-heptanol 57.72
    ethylbenzene 90.44
    MIBK 129.35
    2-propoxyethanol 188.21
    tert-butanol 182.7
    MTBE 159.9
    2-butoxyethanol 136.37
    propionic acid 258.24
    o-xylene 124.98
    formic acid 273.02
    diethyl ether 211.25
    m-xylene 93.69
    p-xylene 143.13
    chlorobenzene 226.76
    dimethyl carbonate 211.67
    n-octane 14.31
    formamide 535.78
    cyclopentanone 902.52
    2-pentanone 243.85
    anisole 234.64
    cyclopentyl methyl ether 292.55
    gamma-butyrolactone 1133.68
    1-methoxy-2-propanol 247.46
    pyridine 498.72
    3-pentanone 233.13
    furfural 1028.05
    n-dodecane 14.67
    diethylene glycol 177.58
    diisopropyl ether 58.64
    tert-amyl alcohol 147.18
    acetylacetone 413.38
    n-hexadecane 16.7
    acetophenone 279.04
    methyl propionate 306.96
    isopentyl acetate 110.44
    trichloroethylene 721.86
    n-nonanol 84.28
    cyclohexanol 179.71
    benzyl alcohol 165.59
    2-ethylhexanol 59.64
    isooctanol 48.07
    dipropyl ether 101.81
    1,2-dichlorobenzene 228.27
    ethyl lactate 102.82
    propylene carbonate 493.54
    n-methylformamide 513.16
    2-pentanol 81.35
    n-pentane 25.24
    1-propoxy-2-propanol 135.14
    1-methoxy-2-propyl acetate 170.07
    2-(2-methoxypropoxy) propanol 170.76
    mesitylene 60.38
    ε-caprolactone 499.52
    p-cymene 56.34
    epichlorohydrin 745.05
    1,1,1-trichloroethane 364.12
    2-aminoethanol 123.41
    morpholine-4-carbaldehyde 1101.85
    sulfolane 952.57
    2,2,4-trimethylpentane 13.92
    2-methyltetrahydrofuran 490.41
    n-hexyl acetate 190.7
    isooctane 8.01
    2-(2-butoxyethoxy)ethanol 213.21
    sec-butyl acetate 114.06
    tert-butyl acetate 162.78
    decalin 29.29
    glycerin 152.04
    diglyme 444.39
    acrylic acid 284.02
    isopropyl myristate 87.03
    n-butyric acid 228.48
    acetyl acetate 275.03
    di(2-ethylhexyl) phthalate 86.4
    ethyl propionate 182.25
    nitromethane 1193.57
    1,2-diethoxyethane 209.39
    benzonitrile 292.82
    trioctyl phosphate 65.46
    1-bromopropane 165.33
    gamma-valerolactone 1166.87
    n-decanol 64.73
    triethyl phosphate 91.33
    4-methyl-2-pentanol 47.43
    propionitrile 269.92
    vinylene carbonate 507.17
    1,1,2-trichlorotrifluoroethane 454.88
    DMS 215.22
    cumene 61.17
    2-octanol 55.0
    2-hexanone 171.12
    octyl acetate 111.47
    limonene 82.86
    1,2-dimethoxyethane 521.77
    ethyl orthosilicate 84.75
    tributyl phosphate 79.94
    diacetone alcohol 184.47
    N,N-dimethylaniline 175.09
    acrylonitrile 404.78
    aniline 182.71
    1,3-propanediol 153.69
    bromobenzene 211.2
    dibromomethane 432.47
    1,1,2,2-tetrachloroethane 536.5
    2-methyl-cyclohexyl acetate 123.73
    tetrabutyl urea 118.02
    diisobutyl methanol 44.53
    2-phenylethanol 124.77
    styrene 117.31
    dioctyl adipate 136.81
    dimethyl sulfate 361.35
    ethyl butyrate 140.51
    methyl lactate 167.53
    butyl lactate 107.54
    diethyl carbonate 112.78
    propanediol butyl ether 138.03
    triethyl orthoformate 108.95
    p-tert-butyltoluene 53.33
    methyl 4-tert-butylbenzoate 183.62
    morpholine 659.74
    tert-butylamine 109.32
    n-dodecanol 52.23
    dimethoxymethane 409.1
    ethylene carbonate 373.01
    cyrene 254.49
    2-ethoxyethyl acetate 207.87
    2-ethylhexyl acetate 97.24
    1,2,4-trichlorobenzene 301.27
    4-methylpyridine 514.06
    dibutyl ether 122.74
    2,6-dimethyl-4-heptanol 44.53
    DEF 364.39
    dimethyl isosorbide 327.09
    tetrachloroethylene 324.34
    eugenol 176.37
    triacetin 267.41
    span 80 163.65
    1,4-butanediol 65.55
    1,1-dichloroethane 363.61
    2-methyl-1-pentanol 69.46
    methyl formate 507.01
    2-methyl-1-butanol 88.04
    n-decane 23.58
    butyronitrile 217.83
    3,7-dimethyl-1-octanol 75.48
    1-chlorooctane 69.69
    1-chlorotetradecane 35.19
    n-nonane 22.84
    undecane 17.81
    tert-butylcyclohexane 22.36
    cyclooctane 19.82
    cyclopentanol 237.48
    tetrahydropyran 437.4
    tert-amyl methyl ether 133.65
    2,5,8-trioxanonane 305.82
    1-hexene 62.85
    2-isopropoxyethanol 136.59
    2,2,2-trifluoroethanol 279.72
    methyl butyrate 243.26

    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