Methyl 1-(methylsulfinyl)propyl disulfide

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  • Identifiers

    CAS number
    134018-95-4

    Molecular formula
    C5H12OS3

    SMILES
    CCC(SSC)S(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Onion 73.54%
    Sulfurous 71.4%
    Garlic 59.65%
    Alliaceous 56.82%
    Sweet 46.05%
    Meaty 45.83%
    Roasted 45.65%
    Green 45.24%
    Savory 45.23%
    Cooked 42.39%

     

    Flavor
    Onion 67.22%
    Garlic 54.89%
    Sulfurous 54.39%
    Alliaceous 41.18%
    Cooked 38.13%
    Cabbage 37.62%
    Sulfury 35.43%
    Green 35.43%
    Meaty 35.01%
    Metallic 30.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.21 (weak acid)

    Molecular weight
    184.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 133.98 ˚C est.

  • Synonyms

    • methyl 1-(methylsulfinyl)propyl disulfide
    • SCHEMBL7032244
    • CHEBI:173878
    • DTXSID601265485
    • 134018-95-4
    • 1-(methyldisulanyl)-1-methylsulinylpropane
    • Disulfide, methyl 1-(methylsulfinyl)propyl
    • 1-(Methanesulfinyl)-1-(methyldisulfanyl)propane
    • 134018-95-4

  • Applications

    Methyl 1-(methylsulfinyl)propyl disulfide (CAS 134018-95-4) is an organosulfur compound containing a disulfide and a sulfoxide group, primarily considered as an odorant and a synthetic building block for fragrance materials. In practical applications, it may be used as an odor or fragrance ingredient and a fragrance fixative in perfumery and cosmetics, contributing to household and personal care products as a scent component or fragrance additive. It is also evaluated as an important chemical intermediate in industrial manufacturing and may serve as a component for polymer, coating, paint, and plastic formulations. Use and formulation compatibility are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 614.46
    methanol 1004.39
    isopropanol 465.16
    water 17.16
    ethyl acetate 738.5
    n-propanol 505.57
    acetone 1283.49
    n-butanol 409.1
    acetonitrile 1110.3
    DMF 2010.73
    toluene 756.95
    isobutanol 374.01
    1,4-dioxane 1467.31
    methyl acetate 779.76
    THF 1720.91
    2-butanone 875.36
    n-pentanol 259.61
    sec-butanol 409.35
    n-hexane 65.1
    ethylene glycol 367.39
    NMP 1993.42
    cyclohexane 230.41
    DMSO 1799.67
    n-butyl acetate 475.55
    n-octanol 259.13
    chloroform 2269.74
    n-propyl acetate 382.81
    acetic acid 815.88
    dichloromethane 1860.67
    cyclohexanone 1921.6
    propylene glycol 324.41
    isopropyl acetate 447.11
    DMAc 1204.02
    2-ethoxyethanol 519.74
    isopentanol 310.06
    n-heptane 76.9
    ethyl formate 587.13
    1,2-dichloroethane 1200.94
    n-hexanol 356.14
    2-methoxyethanol 1060.72
    isobutyl acetate 258.71
    tetrachloromethane 579.99
    n-pentyl acetate 381.93
    transcutol 1148.21
    n-heptanol 211.85
    ethylbenzene 268.76
    MIBK 438.17
    2-propoxyethanol 674.03
    tert-butanol 533.5
    MTBE 470.09
    2-butoxyethanol 389.0
    propionic acid 608.09
    o-xylene 461.49
    formic acid 466.21
    diethyl ether 538.66
    m-xylene 480.4
    p-xylene 333.39
    chlorobenzene 949.43
    dimethyl carbonate 375.74
    n-octane 40.34
    formamide 620.43
    cyclopentanone 1901.11
    2-pentanone 728.17
    anisole 603.92
    cyclopentyl methyl ether 939.34
    gamma-butyrolactone 1778.81
    1-methoxy-2-propanol 783.65
    pyridine 1403.94
    3-pentanone 619.79
    furfural 1871.46
    n-dodecane 35.08
    diethylene glycol 702.73
    diisopropyl ether 189.35
    tert-amyl alcohol 420.39
    acetylacetone 1032.74
    n-hexadecane 40.77
    acetophenone 594.62
    methyl propionate 631.16
    isopentyl acetate 409.49
    trichloroethylene 2308.08
    n-nonanol 217.33
    cyclohexanol 729.42
    benzyl alcohol 473.37
    2-ethylhexanol 243.09
    isooctanol 182.15
    dipropyl ether 294.71
    1,2-dichlorobenzene 888.55
    ethyl lactate 258.49
    propylene carbonate 913.68
    n-methylformamide 994.52
    2-pentanol 291.73
    n-pentane 79.02
    1-propoxy-2-propanol 477.98
    1-methoxy-2-propyl acetate 553.23
    2-(2-methoxypropoxy) propanol 362.55
    mesitylene 333.86
    ε-caprolactone 1262.84
    p-cymene 213.13
    epichlorohydrin 1585.86
    1,1,1-trichloroethane 1304.26
    2-aminoethanol 424.08
    morpholine-4-carbaldehyde 1925.88
    sulfolane 2333.04
    2,2,4-trimethylpentane 52.76
    2-methyltetrahydrofuran 1124.46
    n-hexyl acetate 495.22
    isooctane 41.68
    2-(2-butoxyethoxy)ethanol 474.12
    sec-butyl acetate 266.95
    tert-butyl acetate 513.08
    decalin 98.71
    glycerin 530.29
    diglyme 915.19
    acrylic acid 642.87
    isopropyl myristate 210.42
    n-butyric acid 694.86
    acetyl acetate 580.27
    di(2-ethylhexyl) phthalate 215.48
    ethyl propionate 366.21
    nitromethane 1858.44
    1,2-diethoxyethane 465.55
    benzonitrile 900.16
    trioctyl phosphate 162.1
    1-bromopropane 597.5
    gamma-valerolactone 2317.32
    n-decanol 161.82
    triethyl phosphate 222.96
    4-methyl-2-pentanol 178.12
    propionitrile 721.99
    vinylene carbonate 994.7
    1,1,2-trichlorotrifluoroethane 1208.98
    DMS 480.68
    cumene 179.28
    2-octanol 188.58
    2-hexanone 407.02
    octyl acetate 255.87
    limonene 333.51
    1,2-dimethoxyethane 892.95
    ethyl orthosilicate 207.41
    tributyl phosphate 191.31
    diacetone alcohol 569.86
    N,N-dimethylaniline 401.68
    acrylonitrile 1010.91
    aniline 740.87
    1,3-propanediol 498.05
    bromobenzene 1050.08
    dibromomethane 1234.09
    1,1,2,2-tetrachloroethane 1760.97
    2-methyl-cyclohexyl acetate 343.72
    tetrabutyl urea 273.37
    diisobutyl methanol 176.26
    2-phenylethanol 460.28
    styrene 389.34
    dioctyl adipate 282.18
    dimethyl sulfate 682.25
    ethyl butyrate 362.11
    methyl lactate 445.91
    butyl lactate 321.09
    diethyl carbonate 251.98
    propanediol butyl ether 435.74
    triethyl orthoformate 268.71
    p-tert-butyltoluene 212.46
    methyl 4-tert-butylbenzoate 463.38
    morpholine 1412.89
    tert-butylamine 329.89
    n-dodecanol 126.89
    dimethoxymethane 934.3
    ethylene carbonate 831.52
    cyrene 503.26
    2-ethoxyethyl acetate 495.68
    2-ethylhexyl acetate 348.17
    1,2,4-trichlorobenzene 1004.5
    4-methylpyridine 1359.01
    dibutyl ether 279.86
    2,6-dimethyl-4-heptanol 176.26
    DEF 883.5
    dimethyl isosorbide 716.3
    tetrachloroethylene 1336.74
    eugenol 472.18
    triacetin 475.97
    span 80 387.73
    1,4-butanediol 228.01
    1,1-dichloroethane 1138.23
    2-methyl-1-pentanol 221.52
    methyl formate 885.57
    2-methyl-1-butanol 319.38
    n-decane 57.51
    butyronitrile 629.65
    3,7-dimethyl-1-octanol 229.68
    1-chlorooctane 230.03
    1-chlorotetradecane 98.38
    n-nonane 57.25
    undecane 43.15
    tert-butylcyclohexane 78.91
    cyclooctane 84.23
    cyclopentanol 716.52
    tetrahydropyran 1220.26
    tert-amyl methyl ether 396.14
    2,5,8-trioxanonane 634.96
    1-hexene 191.77
    2-isopropoxyethanol 351.12
    2,2,2-trifluoroethanol 425.91
    methyl butyrate 488.65

    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