Di-sec-butyl disulfide

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  • Identifiers

    CAS number
    5943-30-6

    Molecular formula
    C8H18S2

    SMILES
    CCC(C)SSC(C)CC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 87.46%
    Green 80.22%
    Alliaceous 74.77%
    Vegetable 70.51%
    Onion 68.8%
    Meaty 67.8%
    Savory 61.3%
    Garlic 56.42%
    Roasted 45.71%
    Tropical 44.23%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.13 (neutral)

    Molecular weight
    178.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point est.
    80.03 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • sec-Butyl Disulfide
    • Di-sec-butyl disulfide
    • 5943-30-6
    • sec-Butyldisulfide
    • 2-(butan-2-yldisulfanyl)butane
    • Disulfide, bis(1-methylpropyl)
    • Dibutan-2-yl disulfide
    • Di-sec-butyldisulfide
    • 1-Methylpropyl disulfide
    • Bis(2-butyl) disulfide
    • Bis(sec-butyl) disulphide
    • Di(1-methylpropyl) disulfide
    • bis(1-Methylpropyl) disulfide
    • CCRIS 5539
    • P593TCY71H
    • DTXSID6044698
    • 3,6-Dimethyl-4,5-dithiaoctane
    • EINECS 227-702-1
    • DTXCID4024698
    • FEMA NO. 4578
    • di-sec-butyl dissulfide
    • UNII-P593TCY71H
    • 2-butan-2-yldisulfanylbutane
    • 2-(Sec-butyldisulfanyl)butane
    • MFCD00009331
    • 2-sec-butyldisulfanylbutane
    • 1-methyl-1-propyl disulfide
    • sec-Butyl disulfide, ~95%
    • SCHEMBL191109
    • CHEMBL3189103
    • QTWKINKGAHTPFJ-UHFFFAOYSA-
    • Tox21_301947
    • NCGC00256215-01
    • LS-13553
    • CAS-5943-30-6
    • DB-053384
    • sec-Butyl disulfide, technical grade, 90%
    • CS-0204906
    • E85239
    • EN300-7422024
    • Q27286213
    • InChI=1/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.9
    methanol 66.29
    isopropanol 254.81
    water 0.02
    ethyl acetate 921.45
    n-propanol 260.43
    acetone 1222.38
    n-butanol 322.84
    acetonitrile 414.34
    DMF 1144.43
    toluene 1320.19
    isobutanol 271.66
    1,4-dioxane 1878.99
    methyl acetate 859.67
    THF 3582.13
    2-butanone 1315.04
    n-pentanol 226.36
    sec-butanol 339.17
    n-hexane 216.28
    ethylene glycol 15.79
    NMP 1771.74
    cyclohexane 875.12
    DMSO 875.64
    n-butyl acetate 1681.89
    n-octanol 366.07
    chloroform 2419.98
    n-propyl acetate 695.29
    acetic acid 202.34
    dichloromethane 1958.75
    cyclohexanone 3187.34
    propylene glycol 54.94
    isopropyl acetate 710.02
    DMAc 1078.8
    2-ethoxyethanol 259.92
    isopentanol 327.91
    n-heptane 546.76
    ethyl formate 443.21
    1,2-dichloroethane 1345.31
    n-hexanol 540.55
    2-methoxyethanol 347.95
    isobutyl acetate 526.21
    tetrachloromethane 633.71
    n-pentyl acetate 903.69
    transcutol 1117.06
    n-heptanol 304.59
    ethylbenzene 568.5
    MIBK 675.59
    2-propoxyethanol 616.95
    tert-butanol 492.4
    MTBE 948.99
    2-butoxyethanol 387.57
    propionic acid 260.75
    o-xylene 768.31
    formic acid 14.7
    diethyl ether 826.46
    m-xylene 731.27
    p-xylene 793.4
    chlorobenzene 1415.61
    dimethyl carbonate 254.3
    n-octane 192.88
    formamide 43.7
    cyclopentanone 3221.31
    2-pentanone 1088.44
    anisole 860.09
    cyclopentyl methyl ether 1848.06
    gamma-butyrolactone 2227.09
    1-methoxy-2-propanol 398.51
    pyridine 1980.23
    3-pentanone 992.87
    furfural 1614.3
    n-dodecane 108.96
    diethylene glycol 195.61
    diisopropyl ether 423.43
    tert-amyl alcohol 468.56
    acetylacetone 1209.5
    n-hexadecane 136.3
    acetophenone 859.53
    methyl propionate 660.51
    isopentyl acetate 1364.82
    trichloroethylene 2681.2
    n-nonanol 349.79
    cyclohexanol 797.7
    benzyl alcohol 436.58
    2-ethylhexanol 578.19
    isooctanol 285.62
    dipropyl ether 1231.81
    1,2-dichlorobenzene 1236.27
    ethyl lactate 215.48
    propylene carbonate 1257.82
    n-methylformamide 259.17
    2-pentanol 298.57
    n-pentane 191.62
    1-propoxy-2-propanol 716.18
    1-methoxy-2-propyl acetate 1064.72
    2-(2-methoxypropoxy) propanol 460.48
    mesitylene 531.73
    ε-caprolactone 2004.6
    p-cymene 587.0
    epichlorohydrin 2046.49
    1,1,1-trichloroethane 2122.9
    2-aminoethanol 50.04
    morpholine-4-carbaldehyde 1392.02
    sulfolane 2575.98
    2,2,4-trimethylpentane 120.94
    2-methyltetrahydrofuran 2658.56
    n-hexyl acetate 1049.28
    isooctane 103.59
    2-(2-butoxyethoxy)ethanol 546.45
    sec-butyl acetate 563.97
    tert-butyl acetate 927.38
    decalin 284.41
    glycerin 66.26
    diglyme 1185.9
    acrylic acid 192.87
    isopropyl myristate 513.77
    n-butyric acid 550.15
    acetyl acetate 655.85
    di(2-ethylhexyl) phthalate 348.03
    ethyl propionate 590.8
    nitromethane 536.28
    1,2-diethoxyethane 1098.92
    benzonitrile 1006.34
    trioctyl phosphate 290.12
    1-bromopropane 1099.87
    gamma-valerolactone 2605.0
    n-decanol 262.84
    triethyl phosphate 482.96
    4-methyl-2-pentanol 211.39
    propionitrile 546.92
    vinylene carbonate 974.24
    1,1,2-trichlorotrifluoroethane 847.7
    DMS 662.34
    cumene 335.44
    2-octanol 300.24
    2-hexanone 835.92
    octyl acetate 564.25
    limonene 1088.33
    1,2-dimethoxyethane 980.07
    ethyl orthosilicate 466.79
    tributyl phosphate 383.49
    diacetone alcohol 647.0
    N,N-dimethylaniline 558.56
    acrylonitrile 526.62
    aniline 738.69
    1,3-propanediol 125.68
    bromobenzene 1857.08
    dibromomethane 1453.65
    1,1,2,2-tetrachloroethane 2220.93
    2-methyl-cyclohexyl acetate 916.7
    tetrabutyl urea 532.33
    diisobutyl methanol 461.02
    2-phenylethanol 619.03
    styrene 747.49
    dioctyl adipate 627.74
    dimethyl sulfate 430.09
    ethyl butyrate 1166.13
    methyl lactate 195.26
    butyl lactate 488.67
    diethyl carbonate 694.06
    propanediol butyl ether 327.81
    triethyl orthoformate 836.18
    p-tert-butyltoluene 600.05
    methyl 4-tert-butylbenzoate 688.36
    morpholine 1710.88
    tert-butylamine 371.17
    n-dodecanol 213.55
    dimethoxymethane 629.96
    ethylene carbonate 905.93
    cyrene 548.06
    2-ethoxyethyl acetate 893.33
    2-ethylhexyl acetate 1261.14
    1,2,4-trichlorobenzene 1415.94
    4-methylpyridine 2228.66
    dibutyl ether 983.3
    2,6-dimethyl-4-heptanol 461.02
    DEF 1067.11
    dimethyl isosorbide 1275.02
    tetrachloroethylene 1204.88
    eugenol 513.02
    triacetin 821.03
    span 80 552.07
    1,4-butanediol 56.63
    1,1-dichloroethane 1558.37
    2-methyl-1-pentanol 243.14
    methyl formate 258.6
    2-methyl-1-butanol 311.84
    n-decane 205.39
    butyronitrile 705.31
    3,7-dimethyl-1-octanol 437.28
    1-chlorooctane 559.24
    1-chlorotetradecane 234.52
    n-nonane 225.68
    undecane 142.44
    tert-butylcyclohexane 227.94
    cyclooctane 358.06
    cyclopentanol 796.6
    tetrahydropyran 2534.68
    tert-amyl methyl ether 752.0
    2,5,8-trioxanonane 780.2
    1-hexene 527.32
    2-isopropoxyethanol 251.83
    2,2,2-trifluoroethanol 79.15
    methyl butyrate 834.61

    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
Asafoetida (Iran) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.3%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.32%