1-(Methylsulfinyl)propyl propyl disulfide

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  • Identifiers

    CAS number
    132216-21-8

    Molecular formula
    C7H16OS3

    SMILES
    CCCSSC(CC)S(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Onion 71.44%
    Sulfurous 68.98%
    Alliaceous 57.96%
    Garlic 57.12%
    Green 53.56%
    Sweet 48.31%
    Meaty 46.0%
    Savory 45.94%
    Vegetable 45.56%
    Roasted 44.22%

     

    Flavor
    Onion 68.34%
    Sulfurous 56.93%
    Garlic 56.51%
    Green 52.98%
    Alliaceous 41.17%
    Sulfury 36.02%
    Metallic 35.35%
    Cabbage 33.49%
    Cooked 33.1%
    Meaty 27.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.01 (neutral)

    Molecular weight
    212.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 155.99 ˚C est.

  • Synonyms

    • 1-(Methylsulfinyl)propyl propyl disulfide
    • SCHEMBL27857953
    • CHEBI:174075
    • DTXSID501264753
    • 132216-21-8
    • 1-methylsulinyl-1-(propyldisulanyl)propane
    • Disulfide, 1-(methylsulfinyl)propyl propyl
    • 1-(Methanesulfinyl)-1-(propyldisulfanyl)propane
    • 132216-21-8

  • Applications

    1-(Methylsulfinyl)propyl propyl disulfide, CAS 132216-21-8, is primarily considered an organosulfur fragrance-related compound with a sulfurous character, used as an odorant in fragrance formulations and occasionally as a flavor/aroma contributor. It is also used as an intermediate in the synthesis of other disulfide-containing compounds for chemical manufacturing. In cosmetics and personal care, it can serve as a fragrance ingredient; in household cleaning products, it may be used as an added scent. In industrial manufacturing, it can function as an intermediate or building block for sulfur-containing compounds. In food processing, it may be evaluated for flavor/aroma applications, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1960.0
    methanol 2483.78
    isopropanol 1457.63
    water 3.01
    ethyl acetate 2265.31
    n-propanol 1621.26
    acetone 5083.34
    n-butanol 1382.76
    acetonitrile 3557.87
    DMF 6216.21
    toluene 2518.14
    isobutanol 1222.0
    1,4-dioxane 4454.2
    methyl acetate 2349.5
    THF 5219.47
    2-butanone 3027.69
    n-pentanol 835.54
    sec-butanol 1265.52
    n-hexane 197.12
    ethylene glycol 499.1
    NMP 5615.19
    cyclohexane 1097.12
    DMSO 5861.37
    n-butyl acetate 1686.38
    n-octanol 536.48
    chloroform 7707.28
    n-propyl acetate 1196.78
    acetic acid 2625.91
    dichloromethane 5942.1
    cyclohexanone 7669.68
    propylene glycol 651.75
    isopropyl acetate 1300.34
    DMAc 3273.46
    2-ethoxyethanol 1148.12
    isopentanol 1042.6
    n-heptane 200.92
    ethyl formate 1783.89
    1,2-dichloroethane 3907.27
    n-hexanol 985.51
    2-methoxyethanol 2453.49
    isobutyl acetate 724.98
    tetrachloromethane 1598.52
    n-pentyl acetate 1114.65
    transcutol 3198.52
    n-heptanol 446.37
    ethylbenzene 763.95
    MIBK 1158.97
    2-propoxyethanol 1452.11
    tert-butanol 1597.63
    MTBE 1541.63
    2-butoxyethanol 792.9
    propionic acid 1706.46
    o-xylene 1182.14
    formic acid 916.5
    diethyl ether 1833.14
    m-xylene 1223.39
    p-xylene 965.49
    chlorobenzene 3349.72
    dimethyl carbonate 865.7
    n-octane 84.4
    formamide 1610.4
    cyclopentanone 6226.79
    2-pentanone 2424.98
    anisole 1438.79
    cyclopentyl methyl ether 2701.12
    gamma-butyrolactone 5407.91
    1-methoxy-2-propanol 1625.67
    pyridine 5956.7
    3-pentanone 1890.39
    furfural 5528.4
    n-dodecane 57.86
    diethylene glycol 1180.86
    diisopropyl ether 482.92
    tert-amyl alcohol 1243.65
    acetylacetone 2822.15
    n-hexadecane 71.06
    acetophenone 1528.22
    methyl propionate 1683.32
    isopentyl acetate 1368.19
    trichloroethylene 8650.05
    n-nonanol 441.44
    cyclohexanol 2687.69
    benzyl alcohol 1255.4
    2-ethylhexanol 646.14
    isooctanol 369.5
    dipropyl ether 807.63
    1,2-dichlorobenzene 2667.76
    ethyl lactate 503.83
    propylene carbonate 2769.58
    n-methylformamide 2937.24
    2-pentanol 877.6
    n-pentane 239.71
    1-propoxy-2-propanol 1120.67
    1-methoxy-2-propyl acetate 1517.43
    2-(2-methoxypropoxy) propanol 734.33
    mesitylene 742.03
    ε-caprolactone 4431.07
    p-cymene 499.1
    epichlorohydrin 4864.38
    1,1,1-trichloroethane 4796.35
    2-aminoethanol 869.41
    morpholine-4-carbaldehyde 4910.89
    sulfolane 6698.15
    2,2,4-trimethylpentane 114.43
    2-methyltetrahydrofuran 3852.5
    n-hexyl acetate 1425.97
    isooctane 84.39
    2-(2-butoxyethoxy)ethanol 1055.65
    sec-butyl acetate 765.15
    tert-butyl acetate 1359.85
    decalin 255.4
    glycerin 892.85
    diglyme 2200.39
    acrylic acid 1674.88
    isopropyl myristate 466.74
    n-butyric acid 2326.26
    acetyl acetate 1596.21
    di(2-ethylhexyl) phthalate 467.66
    ethyl propionate 953.44
    nitromethane 5787.41
    1,2-diethoxyethane 1404.35
    benzonitrile 2872.65
    trioctyl phosphate 342.73
    1-bromopropane 1909.9
    gamma-valerolactone 7605.08
    n-decanol 308.79
    triethyl phosphate 499.52
    4-methyl-2-pentanol 437.19
    propionitrile 2348.49
    vinylene carbonate 3037.7
    1,1,2-trichlorotrifluoroethane 3286.71
    DMS 1132.58
    cumene 398.86
    2-octanol 403.69
    2-hexanone 1277.64
    octyl acetate 586.56
    limonene 916.54
    1,2-dimethoxyethane 2512.19
    ethyl orthosilicate 477.5
    tributyl phosphate 469.99
    diacetone alcohol 1377.59
    N,N-dimethylaniline 889.72
    acrylonitrile 3249.25
    aniline 2425.47
    1,3-propanediol 1229.07
    bromobenzene 3563.28
    dibromomethane 3962.44
    1,1,2,2-tetrachloroethane 6001.68
    2-methyl-cyclohexyl acetate 909.51
    tetrabutyl urea 682.18
    diisobutyl methanol 424.8
    2-phenylethanol 1098.8
    styrene 1227.3
    dioctyl adipate 684.81
    dimethyl sulfate 1494.91
    ethyl butyrate 1019.58
    methyl lactate 843.12
    butyl lactate 831.57
    diethyl carbonate 697.09
    propanediol butyl ether 938.22
    triethyl orthoformate 736.78
    p-tert-butyltoluene 471.22
    methyl 4-tert-butylbenzoate 999.81
    morpholine 4939.92
    tert-butylamine 978.73
    n-dodecanol 237.63
    dimethoxymethane 2120.97
    ethylene carbonate 2594.18
    cyrene 1066.55
    2-ethoxyethyl acetate 1350.72
    2-ethylhexyl acetate 1108.19
    1,2,4-trichlorobenzene 2933.88
    4-methylpyridine 5418.52
    dibutyl ether 794.64
    2,6-dimethyl-4-heptanol 424.8
    DEF 2722.7
    dimethyl isosorbide 1669.2
    tetrachloroethylene 4319.22
    eugenol 959.87
    triacetin 1163.8
    span 80 867.57
    1,4-butanediol 472.89
    1,1-dichloroethane 4045.2
    2-methyl-1-pentanol 702.71
    methyl formate 2326.04
    2-methyl-1-butanol 1017.97
    n-decane 109.72
    butyronitrile 2441.56
    3,7-dimethyl-1-octanol 519.74
    1-chlorooctane 483.98
    1-chlorotetradecane 175.01
    n-nonane 113.22
    undecane 76.11
    tert-butylcyclohexane 169.5
    cyclooctane 275.7
    cyclopentanol 2405.84
    tetrahydropyran 5009.43
    tert-amyl methyl ether 1059.37
    2,5,8-trioxanonane 1375.84
    1-hexene 644.28
    2-isopropoxyethanol 741.39
    2,2,2-trifluoroethanol 1005.14
    methyl butyrate 1501.51

    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