2,3,5,7,9-Pentathiadecane 2,2-dioxide

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  • Identifiers

    CAS number
    156430-94-3

    Molecular formula
    C5H12O2S5

    SMILES
    CSSCSCSCS(=O)(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 73.11%
    Onion 68.92%
    Roasted 60.93%
    Garlic 59.53%
    Alliaceous 50.95%
    Savory 50.42%
    Meaty 50.22%
    Cooked 49.24%
    Pungent 37.44%
    Cabbage 29.47%

     

    Flavor
    Onion 48.51%
    Garlic 43.66%
    Sulfurous 39.66%
    Cooked 37.54%
    Alliaceous 35.04%
    Cabbage 34.94%
    Meaty 31.45%
    Roasted 31.13%
    Sulfur 31.04%
    Sulfury 27.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.29 (weak acid)

    Molecular weight
    264.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    523°C

    Melting point expt.

    • 80 - 82 °C

    Flash point

    • 234.7 ˚C est.

  • Synonyms

    • 2,3,5,7,9-Pentathiadecane 2,2-dioxide
    • SCHEMBL7116346
    • SE-3
    • CHEBI:193840
    • DTXSID601284291
    • methanesulfonyl[({[(methyldisulfanyl)methyl]sulfanyl}methyl)sulfanyl]methane
    • 156430-94-3
    • 2,3,5,7,9-pentathiadecane-9,9-dioxide
    • 2,3,5,7,9-Pentathiadecane, 9,9-dioxide
    • 9,9-Dioxo-2,3,5,7,9lambda~6~-pentathiadecane
    • (methyldisulanyl)methylsulanyl-(methylsulonylmethylsulanyl)methane
    • 156430-94-3

  • Applications

    2,3,5,7,9-Pentathiadecane 2,2-dioxide (CAS 156430-94-3) is primarily used as an intermediate in organosulfur synthesis and other specialized chemical routes, and may function as a crosslinking agent or functional modifier in polymers and plastics; it can serve as a specialty additive for coatings and inks to enhance durability, thermal and chemical resistance, and may be considered as a precursor for functional materials in electronics or advanced coatings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.78
    methanol 188.26
    isopropanol 64.07
    water 5.96
    ethyl acetate 138.8
    n-propanol 70.69
    acetone 483.08
    n-butanol 56.08
    acetonitrile 235.5
    DMF 1098.62
    toluene 76.03
    isobutanol 50.15
    1,4-dioxane 528.1
    methyl acetate 202.07
    THF 565.88
    2-butanone 250.16
    n-pentanol 49.6
    sec-butanol 59.57
    n-hexane 6.08
    ethylene glycol 95.66
    NMP 784.46
    cyclohexane 31.79
    DMSO 753.94
    n-butyl acetate 91.31
    n-octanol 57.65
    chloroform 240.32
    n-propyl acetate 109.42
    acetic acid 215.44
    dichloromethane 216.67
    cyclohexanone 501.47
    propylene glycol 92.96
    isopropyl acetate 87.83
    DMAc 796.88
    2-ethoxyethanol 213.7
    isopentanol 45.31
    n-heptane 9.81
    ethyl formate 130.31
    1,2-dichloroethane 162.0
    n-hexanol 52.02
    2-methoxyethanol 421.85
    isobutyl acetate 71.94
    tetrachloromethane 25.32
    n-pentyl acetate 73.86
    transcutol 668.98
    n-heptanol 33.67
    ethylbenzene 38.77
    MIBK 102.98
    2-propoxyethanol 183.83
    tert-butanol 82.88
    MTBE 71.13
    2-butoxyethanol 95.02
    propionic acid 105.65
    o-xylene 62.94
    formic acid 160.64
    diethyl ether 101.5
    m-xylene 53.43
    p-xylene 55.91
    chlorobenzene 109.34
    dimethyl carbonate 118.52
    n-octane 4.81
    formamide 299.92
    cyclopentanone 575.15
    2-pentanone 181.89
    anisole 156.91
    cyclopentyl methyl ether 214.88
    gamma-butyrolactone 484.16
    1-methoxy-2-propanol 260.01
    pyridine 299.64
    3-pentanone 177.2
    furfural 551.53
    n-dodecane 5.69
    diethylene glycol 236.0
    diisopropyl ether 30.42
    tert-amyl alcohol 72.07
    acetylacetone 349.67
    n-hexadecane 6.53
    acetophenone 187.01
    methyl propionate 160.33
    isopentyl acetate 77.24
    trichloroethylene 352.03
    n-nonanol 54.55
    cyclohexanol 121.32
    benzyl alcohol 128.5
    2-ethylhexanol 45.62
    isooctanol 28.75
    dipropyl ether 69.04
    1,2-dichlorobenzene 113.39
    ethyl lactate 85.17
    propylene carbonate 219.43
    n-methylformamide 341.82
    2-pentanol 39.77
    n-pentane 6.76
    1-propoxy-2-propanol 133.94
    1-methoxy-2-propyl acetate 145.7
    2-(2-methoxypropoxy) propanol 175.87
    mesitylene 37.85
    ε-caprolactone 298.74
    p-cymene 36.37
    epichlorohydrin 390.05
    1,1,1-trichloroethane 110.25
    2-aminoethanol 113.84
    morpholine-4-carbaldehyde 825.81
    sulfolane 595.12
    2,2,4-trimethylpentane 5.0
    2-methyltetrahydrofuran 243.49
    n-hexyl acetate 106.23
    isooctane 3.55
    2-(2-butoxyethoxy)ethanol 219.51
    sec-butyl acetate 70.67
    tert-butyl acetate 102.36
    decalin 13.03
    glycerin 210.27
    diglyme 397.08
    acrylic acid 138.45
    isopropyl myristate 52.48
    n-butyric acid 108.84
    acetyl acetate 133.06
    di(2-ethylhexyl) phthalate 63.83
    ethyl propionate 100.56
    nitromethane 600.57
    1,2-diethoxyethane 173.26
    benzonitrile 174.65
    trioctyl phosphate 42.2
    1-bromopropane 61.47
    gamma-valerolactone 831.88
    n-decanol 43.21
    triethyl phosphate 63.69
    4-methyl-2-pentanol 27.8
    propionitrile 108.06
    vinylene carbonate 249.21
    1,1,2-trichlorotrifluoroethane 385.73
    DMS 132.6
    cumene 29.87
    2-octanol 28.97
    2-hexanone 127.5
    octyl acetate 64.22
    limonene 58.34
    1,2-dimethoxyethane 497.38
    ethyl orthosilicate 58.47
    tributyl phosphate 58.6
    diacetone alcohol 150.62
    N,N-dimethylaniline 122.98
    acrylonitrile 181.18
    aniline 127.39
    1,3-propanediol 124.5
    bromobenzene 93.17
    dibromomethane 119.0
    1,1,2,2-tetrachloroethane 285.39
    2-methyl-cyclohexyl acetate 97.19
    tetrabutyl urea 101.11
    diisobutyl methanol 32.08
    2-phenylethanol 105.71
    styrene 55.79
    dioctyl adipate 93.63
    dimethyl sulfate 223.7
    ethyl butyrate 90.1
    methyl lactate 141.29
    butyl lactate 87.24
    diethyl carbonate 67.85
    propanediol butyl ether 152.69
    triethyl orthoformate 81.2
    p-tert-butyltoluene 34.51
    methyl 4-tert-butylbenzoate 123.0
    morpholine 479.37
    tert-butylamine 46.42
    n-dodecanol 35.94
    dimethoxymethane 402.5
    ethylene carbonate 195.07
    cyrene 228.63
    2-ethoxyethyl acetate 134.09
    2-ethylhexyl acetate 68.28
    1,2,4-trichlorobenzene 158.7
    4-methylpyridine 262.13
    dibutyl ether 73.92
    2,6-dimethyl-4-heptanol 32.08
    DEF 281.65
    dimethyl isosorbide 319.26
    tetrachloroethylene 169.4
    eugenol 153.21
    triacetin 171.29
    span 80 152.74
    1,4-butanediol 62.19
    1,1-dichloroethane 109.08
    2-methyl-1-pentanol 46.02
    methyl formate 300.28
    2-methyl-1-butanol 47.84
    n-decane 8.78
    butyronitrile 98.99
    3,7-dimethyl-1-octanol 55.92
    1-chlorooctane 35.8
    1-chlorotetradecane 17.28
    n-nonane 7.87
    undecane 6.8
    tert-butylcyclohexane 8.8
    cyclooctane 10.13
    cyclopentanol 138.77
    tetrahydropyran 285.75
    tert-amyl methyl ether 74.56
    2,5,8-trioxanonane 328.83
    1-hexene 21.13
    2-isopropoxyethanol 131.73
    2,2,2-trifluoroethanol 117.01
    methyl butyrate 147.29

    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