Dibutyl xanthogen disulfide

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  • Identifiers

    CAS number
    105-77-1

    Molecular formula
    C10H18O2S4

    SMILES
    CCCCOC(=S)SSC(=S)OCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 57.97%
    Onion 48.79%
    Roasted 35.92%
    Savory 35.83%
    Garlic 35.51%
    Alliaceous 31.74%
    Tropical 30.27%
    Meaty 30.04%
    Fruity 29.93%
    Cooked 29.12%

     

    Flavor
    Fruity 43.32%
    Green 30.91%
    Sulfury 28.88%
    Cooked 26.87%
    Cabbage 26.15%
    Earthy 25.36%
    Onion 24.93%
    Vegetable 24.31%
    Roasted 24.02%
    Meaty 23.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.29 (weak base)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 151.28 ˚C est.

  • Synonyms

    • Dibutyl xanthogen disulfide
    • Bis-butylxanthogen
    • Butylxanthic disulfide
    • 105-77-1
    • Dibutyl dixanthogen
    • Dibutylxanthogen
    • Dibutyl thioperoxydicarbonate
    • Dibutyl dixanthogenate
    • CPB (ester)
    • butyl dixanthate
    • Xanthogen, bisbutyl-
    • Di-n-Butyl xanthogen disulfide
    • Di(butoxythiocarbonyl) disulfide
    • Dithiobis(thionoformic acid) dibutyl ester
    • NSC 5239
    • EINECS 203-330-5
    • BRN 1792348
    • Formic acid, dithiobis(thio-, O,O-dibutyl ester
    • I1ZZ3T6L59
    • ACCELERATOR CPB
    • NSC-5239
    • Thioperoxydicarbonic acid (((HO)C(S))2S2), dibutyl ester
    • Thioperoxydicarbonic acid ([(HO)C(S)]2S2), dibutyl ester
    • Thioperoxydicarbonic acid, dibutyl ester
    • XANTHOGEN, BIS(BUTYL-
    • DTXSID0059320
    • Thioperoxydicarbonic acid (((HO)C(S))2S2), C,C'-dibutyl ester
    • 4-03-00-00417 (Beilstein Handbook Reference)
    • Xanthogen, bis[butyl-
    • Dithiobis[thionoformic acid] dibutyl ester
    • Thioperoxydicarbonic acid ([(HO)C(S)]2S2), C,C'-dibutyl ester
    • RefChem:586536
    • DTXCID3032917
    • 203-330-5
    • O-butyl (butoxycarbothioyldisulfanyl)methanethioate
    • NSC5239
    • Butylxanthic disulfide ester
    • UNII-I1ZZ3T6L59
    • CHEMBL332367
    • Formic acid, O,O-dibutyl ester
    • SCHEMBL29477142
    • SCHEMBL29477143
    • QCAZHHXMIVSLMW-UHFFFAOYSA-N
    • NS00023388
    • 1,1'-{Dithiobis[(thioxomethylene)oxy]}dibutane
    • 1,1'-[Disulfanediylbis(carbonothioyloxy)]dibutane
    • 105-77-1

  • Applications

    Dibutyl xanthogen disulfide (CAS 105-77-1) is primarily used as a sulfur-donor and vulcanization accelerator for rubber and elastomers, promoting disulfide crosslinks and a robust polymer network during cure; it is also evaluated as a processing additive and polymer stabilizer to improve processing stability and thermal/oxidative resistance in various polymer systems; it serves as an intermediate for the synthesis of other sulfur-containing xanthogen/xanthate derivatives; it can function as a crosslinking or curing aid in adhesives and coatings formulations; and it is considered a precursor for specialty sulfur-containing compounds in industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.94
    methanol 29.68
    isopropanol 35.58
    water 0.03
    ethyl acetate 361.11
    n-propanol 41.06
    acetone 636.46
    n-butanol 47.16
    acetonitrile 360.0
    DMF 898.26
    toluene 380.54
    isobutanol 35.52
    1,4-dioxane 565.11
    methyl acetate 389.12
    THF 1351.32
    2-butanone 406.25
    n-pentanol 51.76
    sec-butanol 44.57
    n-hexane 19.76
    ethylene glycol 9.38
    NMP 1518.86
    cyclohexane 86.06
    DMSO 923.84
    n-butyl acetate 354.44
    n-octanol 40.27
    chloroform 1940.15
    n-propyl acetate 303.95
    acetic acid 295.68
    dichloromethane 1892.59
    cyclohexanone 967.47
    propylene glycol 17.49
    isopropyl acetate 233.16
    DMAc 973.08
    2-ethoxyethanol 153.75
    isopentanol 54.75
    n-heptane 19.28
    ethyl formate 239.33
    1,2-dichloroethane 1128.67
    n-hexanol 59.52
    2-methoxyethanol 191.8
    isobutyl acetate 190.75
    tetrachloromethane 196.41
    n-pentyl acetate 216.47
    transcutol 759.72
    n-heptanol 36.01
    ethylbenzene 158.92
    MIBK 197.96
    2-propoxyethanol 163.14
    tert-butanol 56.85
    MTBE 149.6
    2-butoxyethanol 119.76
    propionic acid 117.12
    o-xylene 196.56
    formic acid 52.32
    diethyl ether 154.73
    m-xylene 197.32
    p-xylene 247.83
    chlorobenzene 777.68
    dimethyl carbonate 206.61
    n-octane 8.63
    formamide 149.96
    cyclopentanone 1504.5
    2-pentanone 343.6
    anisole 394.86
    cyclopentyl methyl ether 520.03
    gamma-butyrolactone 1394.44
    1-methoxy-2-propanol 147.81
    pyridine 1087.73
    3-pentanone 301.96
    furfural 1554.9
    n-dodecane 7.57
    diethylene glycol 98.57
    diisopropyl ether 61.86
    tert-amyl alcohol 66.37
    acetylacetone 712.07
    n-hexadecane 9.51
    acetophenone 493.72
    methyl propionate 281.14
    isopentyl acetate 290.2
    trichloroethylene 3177.59
    n-nonanol 43.39
    cyclohexanol 119.58
    benzyl alcohol 224.91
    2-ethylhexanol 68.11
    isooctanol 36.17
    dipropyl ether 141.92
    1,2-dichlorobenzene 759.4
    ethyl lactate 110.21
    propylene carbonate 686.99
    n-methylformamide 243.46
    2-pentanol 40.83
    n-pentane 15.3
    1-propoxy-2-propanol 147.36
    1-methoxy-2-propyl acetate 368.11
    2-(2-methoxypropoxy) propanol 200.76
    mesitylene 115.74
    ε-caprolactone 662.07
    p-cymene 103.61
    epichlorohydrin 1576.18
    1,1,1-trichloroethane 1033.13
    2-aminoethanol 23.34
    morpholine-4-carbaldehyde 1075.69
    sulfolane 1652.27
    2,2,4-trimethylpentane 12.86
    2-methyltetrahydrofuran 719.92
    n-hexyl acetate 241.12
    isooctane 8.69
    2-(2-butoxyethoxy)ethanol 227.52
    sec-butyl acetate 201.19
    tert-butyl acetate 286.68
    decalin 39.78
    glycerin 39.38
    diglyme 593.55
    acrylic acid 157.89
    isopropyl myristate 105.56
    n-butyric acid 198.44
    acetyl acetate 439.37
    di(2-ethylhexyl) phthalate 122.08
    ethyl propionate 236.45
    nitromethane 1092.41
    1,2-diethoxyethane 344.0
    benzonitrile 514.22
    trioctyl phosphate 62.05
    1-bromopropane 364.0
    gamma-valerolactone 1539.03
    n-decanol 33.77
    triethyl phosphate 155.49
    4-methyl-2-pentanol 32.92
    propionitrile 168.6
    vinylene carbonate 657.21
    1,1,2-trichlorotrifluoroethane 1008.37
    DMS 355.64
    cumene 90.89
    2-octanol 30.96
    2-hexanone 283.27
    octyl acetate 126.48
    limonene 159.96
    1,2-dimethoxyethane 505.95
    ethyl orthosilicate 139.86
    tributyl phosphate 104.16
    diacetone alcohol 225.08
    N,N-dimethylaniline 274.91
    acrylonitrile 304.05
    aniline 314.76
    1,3-propanediol 44.43
    bromobenzene 1048.12
    dibromomethane 1027.82
    1,1,2,2-tetrachloroethane 1995.38
    2-methyl-cyclohexyl acetate 272.3
    tetrabutyl urea 158.66
    diisobutyl methanol 49.8
    2-phenylethanol 211.68
    styrene 255.4
    dioctyl adipate 210.01
    dimethyl sulfate 441.45
    ethyl butyrate 278.52
    methyl lactate 130.09
    butyl lactate 144.65
    diethyl carbonate 203.61
    propanediol butyl ether 102.91
    triethyl orthoformate 205.21
    p-tert-butyltoluene 101.14
    methyl 4-tert-butylbenzoate 266.02
    morpholine 575.2
    tert-butylamine 40.36
    n-dodecanol 28.27
    dimethoxymethane 354.18
    ethylene carbonate 456.2
    cyrene 313.86
    2-ethoxyethyl acetate 370.17
    2-ethylhexyl acetate 274.04
    1,2,4-trichlorobenzene 976.26
    4-methylpyridine 974.91
    dibutyl ether 134.15
    2,6-dimethyl-4-heptanol 49.8
    DEF 478.18
    dimethyl isosorbide 582.2
    tetrachloroethylene 996.85
    eugenol 242.66
    triacetin 380.94
    span 80 172.42
    1,4-butanediol 24.59
    1,1-dichloroethane 772.83
    2-methyl-1-pentanol 62.33
    methyl formate 260.88
    2-methyl-1-butanol 48.08
    n-decane 12.01
    butyronitrile 192.95
    3,7-dimethyl-1-octanol 57.64
    1-chlorooctane 73.58
    1-chlorotetradecane 33.25
    n-nonane 10.71
    undecane 9.14
    tert-butylcyclohexane 24.2
    cyclooctane 26.13
    cyclopentanol 154.25
    tetrahydropyran 493.56
    tert-amyl methyl ether 141.08
    2,5,8-trioxanonane 407.96
    1-hexene 75.64
    2-isopropoxyethanol 119.89
    2,2,2-trifluoroethanol 133.45
    methyl butyrate 347.23

    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