Disulfide, (methylthio)methyl propyl

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  • Identifiers

    CAS number
    911212-28-7

    Molecular formula
    C5H12S3

    SMILES
    CCCSSCSC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 85.98%
    Onion 83.46%
    Garlic 79.1%
    Alliaceous 73.62%
    Savory 55.28%
    Green 54.35%
    Cooked 53.85%
    Vegetable 52.88%
    Roasted 48.06%
    Pungent 46.82%

     

    Flavor
    Onion 79.91%
    Garlic 73.96%
    Green 73.24%
    Sulfurous 67.05%
    Alliaceous 47.34%
    Metallic 41.25%
    Cabbage 36.56%
    Sulfury 36.43%
    Radish 31.09%
    Cooked 29.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    4.34 (weak acid)

    Molecular weight
    168.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 103.3 ˚C est.

  • Synonyms

    • 2,4,5-Trithiaoctane
    • Fema No. 4842
    • 05PPL1MUF0
    • Disulfide, (methylthio)methyl propyl
    • 1-(Methylthiomethyl)-2-propyldisulfane
    • 911212-28-7
    • UNII-05PPL1MUF0
    • 911212-28-7

  • Applications

    Disulfide, (methylthio)methyl propyl, CAS 911212-28-7 is an organosulfur disulfide that is typically considered as an intermediate or fragrance-related ingredient in several industrial applications. In practice, potential uses include: serving as a fragrance component and odor fixative in perfumery and cosmetics; acting as an odor additive for household cleaning products; functioning as a synthetic intermediate for sulfur-containing compounds and other specialty chemicals; and participating in formulations for coatings/inks or polymer and plastic systems as a precursor or additive. Actual use depends on local regulations and formulation limits, and should be evaluated for specific applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1451.28
    methanol 1213.87
    isopropanol 1177.86
    water 0.22
    ethyl acetate 1788.39
    n-propanol 1215.05
    acetone 3941.47
    n-butanol 1295.68
    acetonitrile 1531.76
    DMF 2865.96
    toluene 2336.04
    isobutanol 994.93
    1,4-dioxane 3919.79
    methyl acetate 1448.22
    THF 6796.44
    2-butanone 2337.97
    n-pentanol 801.68
    sec-butanol 1013.14
    n-hexane 501.06
    ethylene glycol 218.24
    NMP 2549.63
    cyclohexane 2190.24
    DMSO 4279.76
    n-butyl acetate 2370.62
    n-octanol 594.53
    chloroform 4409.7
    n-propyl acetate 1154.52
    acetic acid 1210.7
    dichloromethane 3837.36
    cyclohexanone 5379.51
    propylene glycol 343.43
    isopropyl acetate 1076.66
    DMAc 1511.98
    2-ethoxyethanol 947.65
    isopentanol 1008.44
    n-heptane 903.92
    ethyl formate 1098.15
    1,2-dichloroethane 2724.28
    n-hexanol 1354.08
    2-methoxyethanol 1725.71
    isobutyl acetate 752.35
    tetrachloromethane 1124.18
    n-pentyl acetate 1017.2
    transcutol 2701.21
    n-heptanol 564.42
    ethylbenzene 685.19
    MIBK 1175.46
    2-propoxyethanol 1649.29
    tert-butanol 1470.25
    MTBE 1485.53
    2-butoxyethanol 792.65
    propionic acid 926.65
    o-xylene 954.83
    formic acid 198.11
    diethyl ether 2140.78
    m-xylene 1154.17
    p-xylene 863.25
    chlorobenzene 2087.05
    dimethyl carbonate 524.62
    n-octane 246.72
    formamide 344.62
    cyclopentanone 4933.81
    2-pentanone 2334.35
    anisole 1058.48
    cyclopentyl methyl ether 3148.56
    gamma-butyrolactone 3472.24
    1-methoxy-2-propanol 1312.99
    pyridine 3892.92
    3-pentanone 1630.53
    furfural 2866.12
    n-dodecane 129.73
    diethylene glycol 867.23
    diisopropyl ether 702.41
    tert-amyl alcohol 1013.67
    acetylacetone 2276.67
    n-hexadecane 154.83
    acetophenone 986.81
    methyl propionate 1236.68
    isopentyl acetate 1644.21
    trichloroethylene 4574.37
    n-nonanol 495.5
    cyclohexanol 2097.94
    benzyl alcohol 792.94
    2-ethylhexanol 989.75
    isooctanol 450.86
    dipropyl ether 2001.24
    1,2-dichlorobenzene 1430.84
    ethyl lactate 383.32
    propylene carbonate 1716.01
    n-methylformamide 1075.22
    2-pentanol 932.73
    n-pentane 579.95
    1-propoxy-2-propanol 1503.42
    1-methoxy-2-propyl acetate 1387.97
    2-(2-methoxypropoxy) propanol 622.73
    mesitylene 738.05
    ε-caprolactone 2886.26
    p-cymene 640.82
    epichlorohydrin 3102.79
    1,1,1-trichloroethane 2949.18
    2-aminoethanol 431.59
    morpholine-4-carbaldehyde 2557.23
    sulfolane 4009.15
    2,2,4-trimethylpentane 190.21
    2-methyltetrahydrofuran 4315.24
    n-hexyl acetate 1186.54
    isooctane 185.15
    2-(2-butoxyethoxy)ethanol 940.06
    sec-butyl acetate 695.97
    tert-butyl acetate 1210.0
    decalin 394.69
    glycerin 412.33
    diglyme 2089.77
    acrylic acid 754.3
    isopropyl myristate 499.6
    n-butyric acid 1650.9
    acetyl acetate 1011.16
    di(2-ethylhexyl) phthalate 387.02
    ethyl propionate 817.26
    nitromethane 1995.8
    1,2-diethoxyethane 1745.07
    benzonitrile 1609.78
    trioctyl phosphate 333.72
    1-bromopropane 2118.92
    gamma-valerolactone 4499.2
    n-decanol 374.45
    triethyl phosphate 459.62
    4-methyl-2-pentanol 499.79
    propionitrile 1363.17
    vinylene carbonate 1548.85
    1,1,2-trichlorotrifluoroethane 1680.89
    DMS 659.47
    cumene 378.9
    2-octanol 430.5
    2-hexanone 1388.38
    octyl acetate 581.34
    limonene 1272.61
    1,2-dimethoxyethane 2252.48
    ethyl orthosilicate 488.25
    tributyl phosphate 418.45
    diacetone alcohol 1112.31
    N,N-dimethylaniline 662.95
    acrylonitrile 1476.91
    aniline 1518.02
    1,3-propanediol 766.95
    bromobenzene 2565.48
    dibromomethane 3102.76
    1,1,2,2-tetrachloroethane 3450.67
    2-methyl-cyclohexyl acetate 924.44
    tetrabutyl urea 602.36
    diisobutyl methanol 680.14
    2-phenylethanol 948.11
    styrene 1044.44
    dioctyl adipate 642.25
    dimethyl sulfate 764.24
    ethyl butyrate 1344.62
    methyl lactate 481.69
    butyl lactate 669.61
    diethyl carbonate 708.82
    propanediol butyl ether 701.05
    triethyl orthoformate 910.17
    p-tert-butyltoluene 639.96
    methyl 4-tert-butylbenzoate 682.04
    morpholine 4003.87
    tert-butylamine 1037.6
    n-dodecanol 311.11
    dimethoxymethane 1802.15
    ethylene carbonate 1444.24
    cyrene 696.33
    2-ethoxyethyl acetate 1060.04
    2-ethylhexyl acetate 1390.31
    1,2,4-trichlorobenzene 1533.56
    4-methylpyridine 3422.29
    dibutyl ether 1285.79
    2,6-dimethyl-4-heptanol 680.14
    DEF 1898.41
    dimethyl isosorbide 1349.48
    tetrachloroethylene 2357.5
    eugenol 616.55
    triacetin 804.2
    span 80 824.91
    1,4-butanediol 319.34
    1,1-dichloroethane 2673.36
    2-methyl-1-pentanol 619.98
    methyl formate 929.21
    2-methyl-1-butanol 908.01
    n-decane 247.87
    butyronitrile 1829.53
    3,7-dimethyl-1-octanol 614.59
    1-chlorooctane 672.65
    1-chlorotetradecane 272.48
    n-nonane 293.27
    undecane 168.07
    tert-butylcyclohexane 288.31
    cyclooctane 656.15
    cyclopentanol 1953.93
    tetrahydropyran 5753.21
    tert-amyl methyl ether 1028.77
    2,5,8-trioxanonane 1260.7
    1-hexene 1142.98
    2-isopropoxyethanol 693.29
    2,2,2-trifluoroethanol 310.73
    methyl butyrate 1272.25

    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