Diethyl disulfide

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  • Identifiers

    CAS number
    110-81-6

    Molecular formula
    C4H10S2

    SMILES
    CCSSCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sulfurous 90.31%
    Onion 81.26%
    Alliaceous 77.08%
    Garlic 76.46%
    Green 63.71%
    Vegetable 63.63%
    Savory 56.06%
    Tropical 51.01%
    Meaty 50.11%
    Cooked 46.25%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.58 (neutral)

    Molecular weight
    122.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -101.5 °C

    Boiling point

    • 152.00 °C. @ 760.00 mm Hg

    Flash point est.
    39.46 ˚C

    Solubility expt.

    • 0.3 mg/mL at 25 °C
    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • DIETHYL DISULFIDE
    • 110-81-6
    • Ethyl disulfide
    • Disulfide, diethyl
    • (ethyldisulfanyl)ethane
    • Diethyl disulphide
    • Ethyldithioethane
    • 3,4-Dithiahexane
    • Ethyl disulphide
    • Diethyldisulfid
    • Ethyldisulfide
    • Diethyldisulfide
    • Diethyldisulfid [Czech]
    • NSC 8839
    • 1,1'-dithiodiethane
    • EINECS 203-805-7
    • X2SFL51MH0
    • ethyldisulfanyl-ethane
    • AI3-32579
    • Ethyl disulfide (8CI)
    • NSC-8839
    • 1-(Ethyldisulfanyl)ethane
    • DIETHYL DISULFIDE [FHFI]
    • DTXSID3051464
    • FEMA NO. 4093
    • UNII-X2SFL51MH0
    • ethyldisulphide
    • diethyldisulphide
    • 3,4Dithiahexane
    • MFCD00009266
    • (ethyldisulanyl)ethane
    • Diethyl disulfide, 99%
    • SCHEMBL82321
    • 1-(Ethyldisulfanyl)ethane #
    • WLN: 2SS2
    • Diethyl disulfide, 99%, FG
    • DTXCID308872
    • NSC8839
    • CHEBI:179050
    • (C2H5S)2
    • NSC801679
    • AKOS015838958
    • FD41213
    • NSC-801679
    • LS-13017
    • DB-007418
    • D0486
    • NS00020928
    • D89662
    • EN300-181841
    • A802248
    • FLAMMABLE LIQUID, N.O.S. (DIETHYL DISULPHIDE)
    • Q27293452
    • 203-805-7

  • Applications

    Diethyl disulfide (CAS 110-81-6) is a sulfur-containing organic liquid with a pungent onion-garlic odor that finds wide use as a trace flavoring additive that imparts natural allium notes to foods, as an intermediate for aroma chemicals and pharmaceuticals, as a sulfiding agent to activate hydrocracking or hydrotreating catalysts in the petroleum industry, as a building block in organic synthesis, a calibration standard for sulfur-specific gas chromatography detectors, a fuel additive and reducing agent in certain polymerizations and mineral flotation processes, thereby demonstrating the versatility of this short-chain disulfide compound.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 119.08
    methanol 96.58
    isopropanol 137.02
    water 0.13
    ethyl acetate 660.36
    n-propanol 143.32
    acetone 831.19
    n-butanol 165.19
    acetonitrile 434.06
    DMF 1060.71
    toluene 589.86
    isobutanol 127.36
    1,4-dioxane 1268.5
    methyl acetate 604.51
    THF 1878.27
    2-butanone 720.16
    n-pentanol 119.28
    sec-butanol 153.59
    n-hexane 117.75
    ethylene glycol 25.6
    NMP 1732.14
    cyclohexane 407.93
    DMSO 952.35
    n-butyl acetate 969.39
    n-octanol 187.39
    chloroform 1665.87
    n-propyl acetate 468.71
    acetic acid 250.78
    dichloromethane 1469.59
    cyclohexanone 1868.67
    propylene glycol 45.57
    isopropyl acetate 478.84
    DMAc 790.51
    2-ethoxyethanol 211.06
    isopentanol 151.78
    n-heptane 254.54
    ethyl formate 376.07
    1,2-dichloroethane 996.95
    n-hexanol 230.05
    2-methoxyethanol 336.12
    isobutyl acetate 320.95
    tetrachloromethane 553.95
    n-pentyl acetate 519.17
    transcutol 827.84
    n-heptanol 146.24
    ethylbenzene 267.21
    MIBK 432.88
    2-propoxyethanol 381.68
    tert-butanol 248.45
    MTBE 418.38
    2-butoxyethanol 247.48
    propionic acid 252.1
    o-xylene 386.03
    formic acid 37.6
    diethyl ether 518.82
    m-xylene 397.56
    p-xylene 381.65
    chlorobenzene 924.66
    dimethyl carbonate 272.63
    n-octane 102.31
    formamide 86.38
    cyclopentanone 2152.32
    2-pentanone 673.78
    anisole 540.17
    cyclopentyl methyl ether 1024.94
    gamma-butyrolactone 1938.97
    1-methoxy-2-propanol 298.51
    pyridine 1217.83
    3-pentanone 650.34
    furfural 1704.14
    n-dodecane 68.5
    diethylene glycol 203.53
    diisopropyl ether 256.45
    tert-amyl alcohol 218.54
    acetylacetone 988.73
    n-hexadecane 83.67
    acetophenone 585.47
    methyl propionate 503.76
    isopentyl acetate 727.74
    trichloroethylene 2057.12
    n-nonanol 176.08
    cyclohexanol 379.55
    benzyl alcohol 274.72
    2-ethylhexanol 256.37
    isooctanol 132.15
    dipropyl ether 689.5
    1,2-dichlorobenzene 962.97
    ethyl lactate 182.0
    propylene carbonate 1049.62
    n-methylformamide 315.44
    2-pentanol 151.03
    n-pentane 99.99
    1-propoxy-2-propanol 416.48
    1-methoxy-2-propyl acetate 727.47
    2-(2-methoxypropoxy) propanol 320.27
    mesitylene 341.6
    ε-caprolactone 1318.66
    p-cymene 345.56
    epichlorohydrin 1419.62
    1,1,1-trichloroethane 1476.87
    2-aminoethanol 54.17
    morpholine-4-carbaldehyde 1440.44
    sulfolane 2445.55
    2,2,4-trimethylpentane 65.22
    2-methyltetrahydrofuran 1316.47
    n-hexyl acetate 605.69
    isooctane 60.81
    2-(2-butoxyethoxy)ethanol 376.6
    sec-butyl acetate 344.55
    tert-butyl acetate 658.17
    decalin 162.84
    glycerin 79.94
    diglyme 877.2
    acrylic acid 250.5
    isopropyl myristate 333.51
    n-butyric acid 415.84
    acetyl acetate 575.73
    di(2-ethylhexyl) phthalate 219.54
    ethyl propionate 436.21
    nitromethane 742.69
    1,2-diethoxyethane 706.3
    benzonitrile 732.45
    trioctyl phosphate 182.89
    1-bromopropane 590.95
    gamma-valerolactone 2024.52
    n-decanol 138.24
    triethyl phosphate 373.66
    4-methyl-2-pentanol 107.08
    propionitrile 408.81
    vinylene carbonate 1018.02
    1,1,2-trichlorotrifluoroethane 814.97
    DMS 543.54
    cumene 186.92
    2-octanol 141.45
    2-hexanone 477.61
    octyl acetate 356.63
    limonene 584.55
    1,2-dimethoxyethane 690.67
    ethyl orthosilicate 333.68
    tributyl phosphate 249.72
    diacetone alcohol 450.42
    N,N-dimethylaniline 362.27
    acrylonitrile 509.92
    aniline 426.2
    1,3-propanediol 112.93
    bromobenzene 1182.1
    dibromomethane 1011.47
    1,1,2,2-tetrachloroethane 1578.23
    2-methyl-cyclohexyl acetate 553.5
    tetrabutyl urea 357.58
    diisobutyl methanol 252.83
    2-phenylethanol 360.56
    styrene 410.37
    dioctyl adipate 424.38
    dimethyl sulfate 551.6
    ethyl butyrate 744.25
    methyl lactate 208.77
    butyl lactate 307.01
    diethyl carbonate 492.21
    propanediol butyl ether 208.7
    triethyl orthoformate 535.08
    p-tert-butyltoluene 352.03
    methyl 4-tert-butylbenzoate 472.83
    morpholine 1034.0
    tert-butylamine 176.73
    n-dodecanol 120.36
    dimethoxymethane 596.31
    ethylene carbonate 831.62
    cyrene 407.63
    2-ethoxyethyl acetate 569.16
    2-ethylhexyl acetate 695.4
    1,2,4-trichlorobenzene 1084.64
    4-methylpyridine 1188.69
    dibutyl ether 532.19
    2,6-dimethyl-4-heptanol 252.83
    DEF 770.65
    dimethyl isosorbide 914.35
    tetrachloroethylene 1003.47
    eugenol 382.16
    triacetin 602.07
    span 80 348.27
    1,4-butanediol 52.79
    1,1-dichloroethane 941.73
    2-methyl-1-pentanol 118.26
    methyl formate 314.32
    2-methyl-1-butanol 140.08
    n-decane 114.56
    butyronitrile 445.99
    3,7-dimethyl-1-octanol 222.07
    1-chlorooctane 323.09
    1-chlorotetradecane 154.04
    n-nonane 125.34
    undecane 84.77
    tert-butylcyclohexane 133.9
    cyclooctane 194.99
    cyclopentanol 443.58
    tetrahydropyran 1237.38
    tert-amyl methyl ether 371.9
    2,5,8-trioxanonane 618.53
    1-hexene 233.45
    2-isopropoxyethanol 181.4
    2,2,2-trifluoroethanol 140.05
    methyl butyrate 570.41

    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

Botanical

Name CAS Botanical Proportion
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%