3-Methyl-2-butenyl disulfide

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  • Identifiers

    CAS number
    24963-39-1

    Molecular formula
    C10H18S2

    SMILES
    CC(=CCSSCC=C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 72.12%
    Onion 63.99%
    Green 55.82%
    Garlic 49.57%
    Alliaceous 49.12%
    Meaty 43.96%
    Vegetable 40.95%
    Savory 40.65%
    Tropical 38.34%
    Roasted 37.32%

     

    Flavor
    Green 39.73%
    Sulfurous 37.74%
    Onion 34.42%
    Herbal 26.98%
    Garlic 23.45%
    Alliaceous 23.34%
    Tropical 23.32%
    Oriental 22.83%
    Greasy 22.64%
    Mouldy 22.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.57 (neutral)

    Molecular weight
    202.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 109.78 ˚C est.

  • Synonyms

    • 3-methyl-2-butenyl disulfide
    • Fema No. 4914
    • PO7O52628V
    • UNII-PO7O52628V
    • 24963-39-1
    • RefChem:198342
    • BIS-(3-METHYL-2-BUTENYL)DISULFIDE
    • Bis -(3-methyl-2-butenyl)disulfide
    • bis(3-methyl-2-butenyl) disulfide
    • SCHEMBL7529589
    • 24963-39-1

  • Applications

    3-Methyl-2-butenyl disulfide (CAS 24963-39-1) is primarily encountered in industrial settings as a sulfur-containing odorant and fragrance-building block. In perfumery and cosmetics/personal care, it may be used as an odorant component or fixative to contribute green, sulfurous, or spicy notes. In flavor applications, it may be evaluated as an aroma precursor or contributor. In household products, it can serve as a fragrance additive to impart specific notes in cleaners and detergents. In industrial manufacturing, it is handled as a reactive sulfur-containing intermediate for synthesis of sulfur-containing compounds. In polymers and plastics, it can function as a sulfur-containing building block or crosslinking component to modify polymer properties. All use should be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.57
    methanol 30.06
    isopropanol 98.18
    water 0.03
    ethyl acetate 570.56
    n-propanol 105.62
    acetone 485.53
    n-butanol 144.24
    acetonitrile 193.49
    DMF 410.02
    toluene 984.04
    isobutanol 113.42
    1,4-dioxane 939.44
    methyl acetate 449.17
    THF 1879.49
    2-butanone 552.79
    n-pentanol 141.6
    sec-butanol 161.42
    n-hexane 309.16
    ethylene glycol 12.01
    NMP 749.47
    cyclohexane 771.25
    DMSO 332.0
    n-butyl acetate 751.08
    n-octanol 239.25
    chloroform 1623.86
    n-propyl acetate 410.36
    acetic acid 123.43
    dichloromethane 1159.87
    cyclohexanone 1225.51
    propylene glycol 42.4
    isopropyl acetate 444.78
    DMAc 563.61
    2-ethoxyethanol 186.1
    isopentanol 159.57
    n-heptane 491.25
    ethyl formate 199.59
    1,2-dichloroethane 751.87
    n-hexanol 300.51
    2-methoxyethanol 192.87
    isobutyl acetate 335.55
    tetrachloromethane 315.26
    n-pentyl acetate 420.94
    transcutol 1005.57
    n-heptanol 172.75
    ethylbenzene 518.67
    MIBK 384.9
    2-propoxyethanol 386.52
    tert-butanol 212.7
    MTBE 500.37
    2-butoxyethanol 252.0
    propionic acid 140.03
    o-xylene 587.94
    formic acid 12.69
    diethyl ether 516.44
    m-xylene 601.13
    p-xylene 626.82
    chlorobenzene 786.1
    dimethyl carbonate 187.68
    n-octane 175.07
    formamide 29.54
    cyclopentanone 1300.8
    2-pentanone 548.86
    anisole 664.97
    cyclopentyl methyl ether 1286.0
    gamma-butyrolactone 996.13
    1-methoxy-2-propanol 234.52
    pyridine 1010.04
    3-pentanone 531.07
    furfural 806.44
    n-dodecane 107.53
    diethylene glycol 131.64
    diisopropyl ether 312.61
    tert-amyl alcohol 259.73
    acetylacetone 667.55
    n-hexadecane 131.97
    acetophenone 568.1
    methyl propionate 425.33
    isopentyl acetate 644.68
    trichloroethylene 1629.92
    n-nonanol 235.93
    cyclohexanol 402.52
    benzyl alcohol 289.24
    2-ethylhexanol 397.45
    isooctanol 166.45
    dipropyl ether 885.48
    1,2-dichlorobenzene 677.32
    ethyl lactate 161.54
    propylene carbonate 627.9
    n-methylformamide 101.26
    2-pentanol 176.8
    n-pentane 197.96
    1-propoxy-2-propanol 497.53
    1-methoxy-2-propyl acetate 671.54
    2-(2-methoxypropoxy) propanol 359.18
    mesitylene 425.85
    ε-caprolactone 928.84
    p-cymene 405.57
    epichlorohydrin 1145.59
    1,1,1-trichloroethane 1133.13
    2-aminoethanol 34.12
    morpholine-4-carbaldehyde 769.35
    sulfolane 1089.39
    2,2,4-trimethylpentane 124.13
    2-methyltetrahydrofuran 1418.78
    n-hexyl acetate 582.37
    isooctane 100.92
    2-(2-butoxyethoxy)ethanol 438.32
    sec-butyl acetate 371.37
    tert-butyl acetate 576.61
    decalin 333.66
    glycerin 49.22
    diglyme 855.8
    acrylic acid 111.75
    isopropyl myristate 339.2
    n-butyric acid 262.82
    acetyl acetate 435.57
    di(2-ethylhexyl) phthalate 218.49
    ethyl propionate 402.37
    nitromethane 281.38
    1,2-diethoxyethane 747.65
    benzonitrile 490.8
    trioctyl phosphate 165.7
    1-bromopropane 658.39
    gamma-valerolactone 1198.56
    n-decanol 188.1
    triethyl phosphate 301.55
    4-methyl-2-pentanol 132.11
    propionitrile 231.88
    vinylene carbonate 466.01
    1,1,2-trichlorotrifluoroethane 582.05
    DMS 423.94
    cumene 318.62
    2-octanol 163.38
    2-hexanone 468.2
    octyl acetate 365.19
    limonene 705.0
    1,2-dimethoxyethane 558.63
    ethyl orthosilicate 313.67
    tributyl phosphate 207.49
    diacetone alcohol 402.21
    N,N-dimethylaniline 453.13
    acrylonitrile 222.65
    aniline 484.91
    1,3-propanediol 61.24
    bromobenzene 1070.7
    dibromomethane 916.6
    1,1,2,2-tetrachloroethane 1540.53
    2-methyl-cyclohexyl acetate 572.85
    tetrabutyl urea 279.82
    diisobutyl methanol 290.58
    2-phenylethanol 380.9
    styrene 624.98
    dioctyl adipate 406.94
    dimethyl sulfate 272.6
    ethyl butyrate 634.01
    methyl lactate 148.38
    butyl lactate 257.69
    diethyl carbonate 392.51
    propanediol butyl ether 216.88
    triethyl orthoformate 516.16
    p-tert-butyltoluene 417.11
    methyl 4-tert-butylbenzoate 447.08
    morpholine 918.61
    tert-butylamine 196.11
    n-dodecanol 161.98
    dimethoxymethane 372.2
    ethylene carbonate 408.93
    cyrene 381.37
    2-ethoxyethyl acetate 494.6
    2-ethylhexyl acetate 639.52
    1,2,4-trichlorobenzene 859.7
    4-methylpyridine 1046.22
    dibutyl ether 670.33
    2,6-dimethyl-4-heptanol 290.58
    DEF 509.25
    dimethyl isosorbide 805.83
    tetrachloroethylene 802.92
    eugenol 329.26
    triacetin 553.73
    span 80 392.0
    1,4-butanediol 38.22
    1,1-dichloroethane 849.03
    2-methyl-1-pentanol 163.31
    methyl formate 116.1
    2-methyl-1-butanol 163.98
    n-decane 195.12
    butyronitrile 286.08
    3,7-dimethyl-1-octanol 290.85
    1-chlorooctane 421.13
    1-chlorotetradecane 190.01
    n-nonane 211.55
    undecane 139.81
    tert-butylcyclohexane 259.83
    cyclooctane 402.92
    cyclopentanol 367.45
    tetrahydropyran 1374.26
    tert-amyl methyl ether 498.27
    2,5,8-trioxanonane 560.08
    1-hexene 445.93
    2-isopropoxyethanol 195.22
    2,2,2-trifluoroethanol 55.45
    methyl butyrate 464.16

    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