Tris(ethylthio)methane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6267-24-9

    Molecular formula
    C7H16S3

    SMILES
    CCSC(SCC)SCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 72.35%
    Fruity 69.75%
    Meaty 56.75%
    Onion 55.11%
    Alliaceous 50.64%
    Tropical 50.32%
    Garlic 48.9%
    Roasted 44.77%
    Savory 44.06%
    Burnt 39.0%

     

    Flavor
    Onion 68.65%
    Sulfurous 67.28%
    Garlic 61.48%
    Green 54.54%
    Alliaceous 41.12%
    Sulfury 37.08%
    Metallic 33.61%
    Cabbage 33.27%
    Meaty 31.44%
    Tropical 28.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    4.31 (weak acid)

    Molecular weight
    196.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 114.35 ˚C est.

  • Synonyms

    • Tris(ethylthio)methane
    • Triethyl trithioorthoformate
    • Ethyl orthotrithioformate
    • Triethyl orthothioformate
    • Ethyl thioorthoformate
    • Orthoformic acid, trithio-, triethyl ester
    • NSC 37982
    • Ethane, 1,1',1''-[methylidynetris(thio)]tris-
    • 31ZZ647V5J
    • EINECS 228-439-5
    • Tris(ethylmercapto)methane
    • NSC-37982
    • Ethane, 1,1',1''-(methylidynetris(thio))tris-
    • UNII-31ZZ647V5J
    • AI3-11083
    • DTXSID9064186
    • 1,1',1''-(METHYLIDYNETRIS(THIO))TRIS(ETHANE)
    • 1,1',1''-[Methylidynetris(thio)]tris[ethane]
    • RefChem:192130
    • DTXCID0043478
    • Orthoformic acid, trithio-, triethyl ester (8CI)
    • HBBOGXAEKAVLGW-UHFFFAOYSA-N
    • 6267-24-9
    • bis(ethylsulfanyl)methylsulfanylethane
    • {[bis(ethylsulfanyl)methyl]sulfanyl}ethane
    • MFCD00015179
    • Tris(ethyl thio)methane
    • C7H16S3
    • SCHEMBL1760725
    • SCHEMBL5144056
    • NSC37982
    • AKOS025396845
    • FT35923
    • DB-321837
    • CS-0454371
    • NS00043393
    • T3140
    • Ethane,1',1''-[methylidynetris(thio)]tris-
    • 1-([Bis(ethylsulfanyl)methyl]sulfanyl)ethane #
    • D92666
    • 6267-24-9

  • Applications

    Tris(ethylthio)methane is encountered as an organosulfur intermediate and is commonly evaluated as a precursor for the synthesis of sulfur-containing compounds. It can serve as a ligand or precursor for metal complexes and catalytic systems in organic chemistry. It may be used as a crosslinking or functionalizing agent in polymers and plastics that incorporate thioether linkages, and is studied as an additive for coatings and inks to impart sulfur functionality or modify properties. In fragrance-related contexts, it may be explored as a fragrance-related intermediate or odorant component, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 350.63
    methanol 202.81
    isopropanol 407.07
    water 0.1
    ethyl acetate 1421.59
    n-propanol 450.26
    acetone 2181.09
    n-butanol 517.82
    acetonitrile 788.07
    DMF 3037.0
    toluene 2032.87
    isobutanol 459.66
    1,4-dioxane 2936.59
    methyl acetate 1371.76
    THF 6268.62
    2-butanone 1865.46
    n-pentanol 349.79
    sec-butanol 495.99
    n-hexane 429.77
    ethylene glycol 66.11
    NMP 4672.11
    cyclohexane 1582.59
    DMSO 2160.24
    n-butyl acetate 2230.42
    n-octanol 640.14
    chloroform 4566.95
    n-propyl acetate 1094.58
    acetic acid 510.84
    dichloromethane 4387.46
    cyclohexanone 5485.68
    propylene glycol 129.88
    isopropyl acetate 1099.68
    DMAc 2107.5
    2-ethoxyethanol 415.01
    isopentanol 491.34
    n-heptane 861.3
    ethyl formate 928.83
    1,2-dichloroethane 3012.32
    n-hexanol 720.43
    2-methoxyethanol 712.16
    isobutyl acetate 867.46
    tetrachloromethane 1367.69
    n-pentyl acetate 1482.81
    transcutol 1176.23
    n-heptanol 486.84
    ethylbenzene 872.58
    MIBK 1093.05
    2-propoxyethanol 844.79
    tert-butanol 640.57
    MTBE 1208.28
    2-butoxyethanol 582.89
    propionic acid 574.08
    o-xylene 1201.13
    formic acid 61.81
    diethyl ether 1308.5
    m-xylene 1278.2
    p-xylene 1273.29
    chlorobenzene 2695.87
    dimethyl carbonate 692.74
    n-octane 372.79
    formamide 151.68
    cyclopentanone 6124.37
    2-pentanone 1783.25
    anisole 1276.67
    cyclopentyl methyl ether 3044.61
    gamma-butyrolactone 5051.94
    1-methoxy-2-propanol 613.98
    pyridine 3331.81
    3-pentanone 1668.81
    furfural 3504.22
    n-dodecane 235.4
    diethylene glycol 373.87
    diisopropyl ether 636.8
    tert-amyl alcohol 613.97
    acetylacetone 2180.06
    n-hexadecane 287.85
    acetophenone 1361.21
    methyl propionate 1255.9
    isopentyl acetate 1868.52
    trichloroethylene 5431.24
    n-nonanol 579.95
    cyclohexanol 1309.18
    benzyl alcohol 699.27
    2-ethylhexanol 795.99
    isooctanol 442.57
    dipropyl ether 1747.44
    1,2-dichlorobenzene 2454.77
    ethyl lactate 378.78
    propylene carbonate 2798.89
    n-methylformamide 796.97
    2-pentanol 446.43
    n-pentane 404.76
    1-propoxy-2-propanol 938.85
    1-methoxy-2-propyl acetate 1502.74
    2-(2-methoxypropoxy) propanol 590.89
    mesitylene 975.09
    ε-caprolactone 3597.71
    p-cymene 916.11
    epichlorohydrin 4048.21
    1,1,1-trichloroethane 3906.67
    2-aminoethanol 140.39
    morpholine-4-carbaldehyde 3010.85
    sulfolane 6171.4
    2,2,4-trimethylpentane 215.93
    2-methyltetrahydrofuran 4217.68
    n-hexyl acetate 1781.06
    isooctane 197.09
    2-(2-butoxyethoxy)ethanol 728.07
    sec-butyl acetate 791.19
    tert-butyl acetate 1390.05
    decalin 531.05
    glycerin 165.77
    diglyme 1688.15
    acrylic acid 508.39
    isopropyl myristate 854.63
    n-butyric acid 996.99
    acetyl acetate 1051.01
    di(2-ethylhexyl) phthalate 593.98
    ethyl propionate 985.55
    nitromethane 1281.61
    1,2-diethoxyethane 1373.27
    benzonitrile 1645.87
    trioctyl phosphate 513.97
    1-bromopropane 2000.23
    gamma-valerolactone 4997.41
    n-decanol 443.09
    triethyl phosphate 813.38
    4-methyl-2-pentanol 296.8
    propionitrile 929.02
    vinylene carbonate 2304.1
    1,1,2-trichlorotrifluoroethane 1775.89
    DMS 1239.68
    cumene 541.0
    2-octanol 505.98
    2-hexanone 1243.8
    octyl acetate 944.09
    limonene 1664.44
    1,2-dimethoxyethane 1605.17
    ethyl orthosilicate 754.67
    tributyl phosphate 657.82
    diacetone alcohol 923.95
    N,N-dimethylaniline 896.55
    acrylonitrile 1068.82
    aniline 1200.72
    1,3-propanediol 263.15
    bromobenzene 3467.0
    dibromomethane 3330.67
    1,1,2,2-tetrachloroethane 4341.54
    2-methyl-cyclohexyl acetate 1461.88
    tetrabutyl urea 980.74
    diisobutyl methanol 630.39
    2-phenylethanol 906.17
    styrene 1188.51
    dioctyl adipate 1100.94
    dimethyl sulfate 1166.73
    ethyl butyrate 1695.13
    methyl lactate 454.48
    butyl lactate 775.82
    diethyl carbonate 1066.47
    propanediol butyl ether 458.87
    triethyl orthoformate 1213.85
    p-tert-butyltoluene 917.84
    methyl 4-tert-butylbenzoate 1143.02
    morpholine 2673.0
    tert-butylamine 480.95
    n-dodecanol 367.45
    dimethoxymethane 1539.7
    ethylene carbonate 1983.25
    cyrene 880.93
    2-ethoxyethyl acetate 1318.23
    2-ethylhexyl acetate 1884.49
    1,2,4-trichlorobenzene 2592.2
    4-methylpyridine 3254.12
    dibutyl ether 1459.64
    2,6-dimethyl-4-heptanol 630.39
    DEF 1976.82
    dimethyl isosorbide 1857.56
    tetrachloroethylene 2643.6
    eugenol 815.93
    triacetin 1223.69
    span 80 795.51
    1,4-butanediol 130.43
    1,1-dichloroethane 2794.45
    2-methyl-1-pentanol 361.4
    methyl formate 824.56
    2-methyl-1-butanol 486.18
    n-decane 413.77
    butyronitrile 1122.38
    3,7-dimethyl-1-octanol 666.24
    1-chlorooctane 1035.22
    1-chlorotetradecane 462.62
    n-nonane 459.03
    undecane 296.7
    tert-butylcyclohexane 401.33
    cyclooctane 698.21
    cyclopentanol 1496.34
    tetrahydropyran 3868.15
    tert-amyl methyl ether 1056.6
    2,5,8-trioxanonane 1131.93
    1-hexene 819.7
    2-isopropoxyethanol 371.31
    2,2,2-trifluoroethanol 220.23
    methyl butyrate 1453.31

    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