Methyl isopentyl disulfide

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  • Identifiers

    CAS number
    72437-56-0

    Molecular formula
    C6H14S2

    SMILES
    CC(C)CCSSC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 88.18%
    Onion 77.44%
    Alliaceous 70.89%
    Garlic 66.95%
    Vegetable 66.43%
    Green 64.43%
    Meaty 61.62%
    Savory 60.6%
    Roasted 46.58%
    Cooked 46.06%

     

    Flavor
    Sulfurous 58.55%
    Onion 57.28%
    Garlic 40.76%
    Sulfury 35.77%
    Alliaceous 33.2%
    Green 32.55%
    Meaty 32.55%
    Cabbage 27.27%
    Cooked 26.69%
    Glue 24.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.29 (weak acid)

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 64.43 ˚C est.

    Solubility expt.

    • Sparingly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Methyl isopentyl disulfide
    • Disulfide, isopentyl methyl
    • 72437-56-0
    • Isoamyl methyl disulfide
    • Isopentyl methyl disulfide
    • 2-Methyl-5,6-dithiaheptane
    • 3-methyl-1-(methyldisulfanyl)butane
    • Disulfide, methyl 3-methylbutyl
    • FEMA no. 4168
    • Methyl isopentyl disulfide [FHFI]
    • 0XDI7Q3QL3
    • Methyl isopentyl disulphide
    • UNII-0XDI7Q3QL3
    • Methyl i-amyl disulfide
    • DTXSID30222733
    • 3-methylbutyl methyl disulfide
    • SCHEMBL16524103
    • DTXCID60145224
    • CHEBI:173640
    • XTTOMWDBKHINLK-UHFFFAOYSA-N
    • 3-methyl-1-(methyldisulanyl)butane
    • NS00126737
    • Q27231221
    • 639-132-4

  • Applications

    Methyl isopentyl disulfide (CAS 72437-56-0) is primarily used as a fragrance ingredient in the perfumery and cosmetics sectors, functioning as an odorant and may serve as a fixative to extend scent longevity. In fragrance and personal care product formulations, it is employed as a fragrance note contributing to the aroma profile and product stability. It is also considered for use in household cleaning products as an extra fragrance component. In some chemical manufacturing processes, methyl isopentyl disulfide may act as an intermediate in the synthesis of other sulfur-containing compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 315.38
    methanol 117.49
    isopropanol 338.3
    water 0.06
    ethyl acetate 671.62
    n-propanol 359.46
    acetone 818.81
    n-butanol 434.89
    acetonitrile 379.45
    DMF 465.97
    toluene 840.59
    isobutanol 301.24
    1,4-dioxane 1317.54
    methyl acetate 512.66
    THF 2696.16
    2-butanone 825.65
    n-pentanol 309.01
    sec-butanol 394.72
    n-hexane 263.67
    ethylene glycol 33.86
    NMP 657.7
    cyclohexane 880.22
    DMSO 549.82
    n-butyl acetate 1147.96
    n-octanol 366.07
    chloroform 1622.44
    n-propyl acetate 463.32
    acetic acid 265.24
    dichloromethane 1214.51
    cyclohexanone 1760.61
    propylene glycol 100.3
    isopropyl acetate 435.72
    DMAc 382.01
    2-ethoxyethanol 285.73
    isopentanol 357.04
    n-heptane 756.14
    ethyl formate 333.0
    1,2-dichloroethane 745.17
    n-hexanol 798.22
    2-methoxyethanol 378.5
    isobutyl acetate 335.83
    tetrachloromethane 386.05
    n-pentyl acetate 490.89
    transcutol 1097.57
    n-heptanol 342.52
    ethylbenzene 357.44
    MIBK 419.77
    2-propoxyethanol 687.3
    tert-butanol 480.38
    MTBE 549.97
    2-butoxyethanol 387.36
    propionic acid 277.55
    o-xylene 416.79
    formic acid 25.37
    diethyl ether 682.51
    m-xylene 469.06
    p-xylene 447.18
    chlorobenzene 747.79
    dimethyl carbonate 148.78
    n-octane 178.39
    formamide 49.06
    cyclopentanone 1736.46
    2-pentanone 759.41
    anisole 495.15
    cyclopentyl methyl ether 1270.03
    gamma-butyrolactone 1230.11
    1-methoxy-2-propanol 407.75
    pyridine 1289.35
    3-pentanone 561.83
    furfural 865.95
    n-dodecane 90.85
    diethylene glycol 257.96
    diisopropyl ether 295.32
    tert-amyl alcohol 406.84
    acetylacetone 678.47
    n-hexadecane 109.4
    acetophenone 429.21
    methyl propionate 437.66
    isopentyl acetate 824.84
    trichloroethylene 1400.05
    n-nonanol 324.3
    cyclohexanol 793.39
    benzyl alcohol 318.83
    2-ethylhexanol 678.1
    isooctanol 263.44
    dipropyl ether 1213.86
    1,2-dichlorobenzene 529.67
    ethyl lactate 167.43
    propylene carbonate 734.36
    n-methylformamide 183.51
    2-pentanol 362.75
    n-pentane 259.99
    1-propoxy-2-propanol 795.75
    1-methoxy-2-propyl acetate 691.83
    2-(2-methoxypropoxy) propanol 333.8
    mesitylene 302.77
    ε-caprolactone 1130.44
    p-cymene 416.1
    epichlorohydrin 1174.29
    1,1,1-trichloroethane 1014.63
    2-aminoethanol 92.88
    morpholine-4-carbaldehyde 717.33
    sulfolane 1183.21
    2,2,4-trimethylpentane 95.01
    2-methyltetrahydrofuran 1849.98
    n-hexyl acetate 616.25
    isooctane 88.53
    2-(2-butoxyethoxy)ethanol 489.57
    sec-butyl acetate 350.8
    tert-butyl acetate 515.36
    decalin 209.89
    glycerin 100.59
    diglyme 963.83
    acrylic acid 196.38
    isopropyl myristate 303.17
    n-butyric acid 542.03
    acetyl acetate 409.87
    di(2-ethylhexyl) phthalate 205.9
    ethyl propionate 382.15
    nitromethane 395.34
    1,2-diethoxyethane 802.97
    benzonitrile 565.12
    trioctyl phosphate 176.82
    1-bromopropane 787.65
    gamma-valerolactone 1425.74
    n-decanol 240.54
    triethyl phosphate 276.01
    4-methyl-2-pentanol 208.14
    propionitrile 452.55
    vinylene carbonate 561.16
    1,1,2-trichlorotrifluoroethane 560.0
    DMS 302.4
    cumene 206.25
    2-octanol 259.67
    2-hexanone 536.89
    octyl acetate 352.21
    limonene 783.26
    1,2-dimethoxyethane 700.78
    ethyl orthosilicate 292.73
    tributyl phosphate 218.54
    diacetone alcohol 445.58
    N,N-dimethylaniline 289.96
    acrylonitrile 394.07
    aniline 569.71
    1,3-propanediol 178.51
    bromobenzene 906.95
    dibromomethane 1060.72
    1,1,2,2-tetrachloroethane 1081.76
    2-methyl-cyclohexyl acetate 578.15
    tetrabutyl urea 296.39
    diisobutyl methanol 417.94
    2-phenylethanol 470.33
    styrene 451.93
    dioctyl adipate 376.69
    dimethyl sulfate 183.58
    ethyl butyrate 813.61
    methyl lactate 159.95
    butyl lactate 322.03
    diethyl carbonate 425.01
    propanediol butyl ether 309.48
    triethyl orthoformate 551.27
    p-tert-butyltoluene 416.74
    methyl 4-tert-butylbenzoate 354.22
    morpholine 1399.12
    tert-butylamine 394.4
    n-dodecanol 192.13
    dimethoxymethane 418.36
    ethylene carbonate 539.65
    cyrene 323.6
    2-ethoxyethyl acetate 509.94
    2-ethylhexyl acetate 756.92
    1,2,4-trichlorobenzene 619.24
    4-methylpyridine 1125.63
    dibutyl ether 746.14
    2,6-dimethyl-4-heptanol 417.94
    DEF 574.46
    dimethyl isosorbide 700.2
    tetrachloroethylene 694.76
    eugenol 293.07
    triacetin 439.65
    span 80 437.35
    1,4-butanediol 85.64
    1,1-dichloroethane 898.36
    2-methyl-1-pentanol 258.0
    methyl formate 166.21
    2-methyl-1-butanol 330.04
    n-decane 181.5
    butyronitrile 639.29
    3,7-dimethyl-1-octanol 363.53
    1-chlorooctane 428.19
    1-chlorotetradecane 159.99
    n-nonane 213.87
    undecane 121.48
    tert-butylcyclohexane 157.69
    cyclooctane 324.37
    cyclopentanol 768.09
    tetrahydropyran 2077.11
    tert-amyl methyl ether 456.89
    2,5,8-trioxanonane 591.07
    1-hexene 567.01
    2-isopropoxyethanol 269.73
    2,2,2-trifluoroethanol 75.4
    methyl butyrate 514.56

    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