1,1'-Thiobisethanethiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    53897-59-9

    Molecular formula
    C4H10S3

    SMILES
    CC(S)SC(C)S

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 74.77%
    Meaty 67.65%
    Onion 64.9%
    Fruity 60.05%
    Alliaceous 53.63%
    Roasted 53.48%
    Garlic 53.39%
    Savory 48.42%
    Burnt 41.29%
    Tropical 38.65%

     

    Flavor
    Sulfurous 66.46%
    Onion 62.4%
    Meaty 49.23%
    Garlic 48.54%
    Sulfury 41.39%
    Alliaceous 38.23%
    Cabbage 31.11%
    Cooked 26.97%
    Sulfur 26.81%
    Roasted 26.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.05 (neutral)

    Molecular weight
    154.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 70.07 ˚C est.

  • Synonyms

    • 1,1'-Thiobisethanethiol
    • bis(1-mercaptoethyl) sulfide
    • 3-thia-2,4-pentanedithiol
    • SCHEMBL331610
    • bis-(1-mercaptoethyl) sulphide
    • SCHEMBL9385828
    • SCHEMBL9385834
    • 1,1a(2)-Thiobis[ethanethiol]
    • CHEBI:173657
    • DTXSID301312548
    • 1-(1-sulanylethylsulanyl)ethanethiol
    • 1,1'-Sulfanediyldi(ethane-1-thiol)
    • 53897-59-9
    • 1-[(1-sulfanylethyl)sulfanyl]ethane-1-thiol
    • 53897-59-9

  • Applications

    1,1'-Thiobisethanethiol is a bifunctional, sulfur-containing compound that can act as a di-thiol reagent in materials chemistry and organic synthesis. It is commonly evaluated as a crosslinking or surface-anchoring agent in polymer and coating formulations, enabling sulfur-bridged linkages or disulfide exchange; it can also serve as a linker for self-assembled monolayers on metal substrates in electronics and sensor applications. The two thiol groups provide a versatile building block for introducing sulfur functionalities in organic synthesis. In fragrance work, sulfur-containing thiols are sometimes used as odorants or odorant precursors, contributing distinctive notes with careful formulation. Additionally, it may function as a ligand or precursor in coordination chemistry for metal complexes and catalysis. All uses depend on purity, formulation, and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 456.29
    methanol 470.58
    isopropanol 330.24
    water 4.74
    ethyl acetate 435.53
    n-propanol 365.5
    acetone 627.41
    n-butanol 383.09
    acetonitrile 318.67
    DMF 415.33
    toluene 302.07
    isobutanol 272.08
    1,4-dioxane 745.48
    methyl acetate 387.12
    THF 1329.84
    2-butanone 494.14
    n-pentanol 255.12
    sec-butanol 313.06
    n-hexane 117.76
    ethylene glycol 111.85
    NMP 671.68
    cyclohexane 215.06
    DMSO 454.85
    n-butyl acetate 537.44
    n-octanol 247.62
    chloroform 842.28
    n-propyl acetate 302.98
    acetic acid 515.67
    dichloromethane 602.14
    cyclohexanone 849.83
    propylene glycol 158.58
    isopropyl acetate 305.84
    DMAc 398.74
    2-ethoxyethanol 341.04
    isopentanol 286.42
    n-heptane 195.01
    ethyl formate 303.44
    1,2-dichloroethane 365.54
    n-hexanol 497.59
    2-methoxyethanol 515.65
    isobutyl acetate 229.42
    tetrachloromethane 278.48
    n-pentyl acetate 353.86
    transcutol 738.25
    n-heptanol 261.92
    ethylbenzene 117.56
    MIBK 297.45
    2-propoxyethanol 608.14
    tert-butanol 420.18
    MTBE 443.04
    2-butoxyethanol 349.76
    propionic acid 322.08
    o-xylene 185.25
    formic acid 161.28
    diethyl ether 498.86
    m-xylene 217.72
    p-xylene 159.5
    chlorobenzene 306.86
    dimethyl carbonate 156.75
    n-octane 58.97
    formamide 155.0
    cyclopentanone 885.94
    2-pentanone 496.3
    anisole 242.8
    cyclopentyl methyl ether 671.22
    gamma-butyrolactone 803.01
    1-methoxy-2-propanol 411.12
    pyridine 468.51
    3-pentanone 373.45
    furfural 623.08
    n-dodecane 40.99
    diethylene glycol 385.46
    diisopropyl ether 212.61
    tert-amyl alcohol 365.61
    acetylacetone 472.92
    n-hexadecane 46.93
    acetophenone 222.81
    methyl propionate 324.04
    isopentyl acetate 423.05
    trichloroethylene 641.19
    n-nonanol 212.58
    cyclohexanol 496.99
    benzyl alcohol 194.1
    2-ethylhexanol 327.06
    isooctanol 196.39
    dipropyl ether 463.01
    1,2-dichlorobenzene 267.12
    ethyl lactate 149.93
    propylene carbonate 486.79
    n-methylformamide 264.17
    2-pentanol 292.48
    n-pentane 137.65
    1-propoxy-2-propanol 511.37
    1-methoxy-2-propyl acetate 403.72
    2-(2-methoxypropoxy) propanol 261.51
    mesitylene 150.14
    ε-caprolactone 642.36
    p-cymene 158.31
    epichlorohydrin 686.48
    1,1,1-trichloroethane 568.87
    2-aminoethanol 184.31
    morpholine-4-carbaldehyde 609.31
    sulfolane 773.15
    2,2,4-trimethylpentane 68.43
    2-methyltetrahydrofuran 953.46
    n-hexyl acetate 403.76
    isooctane 57.04
    2-(2-butoxyethoxy)ethanol 361.35
    sec-butyl acetate 211.45
    tert-butyl acetate 370.77
    decalin 75.72
    glycerin 212.86
    diglyme 598.59
    acrylic acid 274.19
    isopropyl myristate 173.17
    n-butyric acid 479.0
    acetyl acetate 336.62
    di(2-ethylhexyl) phthalate 158.46
    ethyl propionate 229.7
    nitromethane 556.77
    1,2-diethoxyethane 416.48
    benzonitrile 260.83
    trioctyl phosphate 132.11
    1-bromopropane 358.92
    gamma-valerolactone 885.84
    n-decanol 154.67
    triethyl phosphate 162.38
    4-methyl-2-pentanol 170.43
    propionitrile 284.73
    vinylene carbonate 395.82
    1,1,2-trichlorotrifluoroethane 468.72
    DMS 216.27
    cumene 93.84
    2-octanol 193.81
    2-hexanone 332.24
    octyl acetate 220.27
    limonene 297.04
    1,2-dimethoxyethane 491.75
    ethyl orthosilicate 172.89
    tributyl phosphate 157.92
    diacetone alcohol 360.77
    N,N-dimethylaniline 170.11
    acrylonitrile 264.43
    aniline 290.51
    1,3-propanediol 291.18
    bromobenzene 306.39
    dibromomethane 520.35
    1,1,2,2-tetrachloroethane 523.69
    2-methyl-cyclohexyl acetate 280.67
    tetrabutyl urea 194.9
    diisobutyl methanol 203.35
    2-phenylethanol 262.56
    styrene 145.64
    dioctyl adipate 217.36
    dimethyl sulfate 218.28
    ethyl butyrate 332.64
    methyl lactate 176.95
    butyl lactate 246.6
    diethyl carbonate 211.56
    propanediol butyl ether 300.62
    triethyl orthoformate 264.21
    p-tert-butyltoluene 166.91
    methyl 4-tert-butylbenzoate 263.7
    morpholine 757.55
    tert-butylamine 292.48
    n-dodecanol 123.1
    dimethoxymethane 406.98
    ethylene carbonate 362.71
    cyrene 281.2
    2-ethoxyethyl acetate 354.35
    2-ethylhexyl acetate 384.6
    1,2,4-trichlorobenzene 322.26
    4-methylpyridine 474.95
    dibutyl ether 301.43
    2,6-dimethyl-4-heptanol 203.35
    DEF 409.21
    dimethyl isosorbide 503.74
    tetrachloroethylene 399.29
    eugenol 235.56
    triacetin 299.55
    span 80 305.44
    1,4-butanediol 136.86
    1,1-dichloroethane 462.47
    2-methyl-1-pentanol 208.89
    methyl formate 244.39
    2-methyl-1-butanol 287.92
    n-decane 72.71
    butyronitrile 357.66
    3,7-dimethyl-1-octanol 221.11
    1-chlorooctane 204.51
    1-chlorotetradecane 88.95
    n-nonane 75.34
    undecane 51.61
    tert-butylcyclohexane 78.55
    cyclooctane 89.11
    cyclopentanol 489.27
    tetrahydropyran 846.33
    tert-amyl methyl ether 364.6
    2,5,8-trioxanonane 426.36
    1-hexene 227.51
    2-isopropoxyethanol 264.93
    2,2,2-trifluoroethanol 213.56
    methyl butyrate 296.56

    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