Mesulfen

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  • Identifiers

    CAS number
    135-58-0

    Molecular formula
    C14H12S2

    SMILES
    CC1=CC2=C(C=C1)SC3=C(S2)C=CC(=C3)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 61.71%
    Sulfurous 52.73%
    Roasted 50.01%
    Burnt 41.25%
    Cooked 29.91%
    Smoky 29.14%
    Savory 28.88%
    Fruity 27.99%
    Coffee 26.74%
    Animal 26.48%

     

    Flavor
    Roasted 41.76%
    Coffee 34.64%
    Meaty 30.12%
    Nutty 26.07%
    Very strong 24.56%
    Sulfury 23.97%
    Indole 23.96%
    Fecal 23.58%
    Scallion 23.43%
    Burnt 23.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.45 (neutral)

    Molecular weight
    244.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    431°C

    Flash point

    • 201.37 ˚C est.

  • Synonyms

    • Mesulfen
    • 2,7-Dimethylthianthrene
    • Mesulphen
    • 135-58-0
    • Thianthol
    • Neosulfine
    • Mitigal
    • Odylen
    • Peligal
    • Sudermo
    • Thiotal
    • Thianthrene, 2,7-dimethyl-
    • EG6V6W7WDD
    • DTXSID0057962
    • dimethyldiphenylenedisulfide
    • RefChem:156694
    • DTXCID8031730
    • 205-202-4
    • Mesulfene
    • Mesulfeno
    • Soufrol
    • Mesulfen (INN)
    • Thiantholum
    • MESULFEN [INN]
    • Mesulfenum
    • Cutilen
    • Cutosolo
    • Mitabol
    • Scabol
    • Mesulfene [INN-French]
    • Mesulfenum [INN-Latin]
    • Mesulfeno [INN-Spanish]
    • Citemul S
    • EINECS 205-202-4
    • UNII-EG6V6W7WDD
    • 2,7-Dimethyl-thianthrene
    • Mesulfen [INN:BAN:DCF]
    • THIANTHOL [JAN]
    • MESULFEN [MI]
    • MESULFEN [WHO-DD]
    • MESULPHEN [MART.]
    • SCHEMBL163685
    • CHEMBL2106968
    • SCHEMBL29360015
    • SCHEMBL29940862
    • CHEBI:134995
    • CCG-42317
    • MFCD00046937
    • SBB056994
    • AKOS000509502
    • DB13356
    • NCGC00160372-01
    • NCGC00160372-02
    • AC-19310
    • SY465847
    • EU-0049576
    • NS00041546
    • ST50993892
    • D07212
    • H11987
    • AB01332995-02
    • SR-01000632326-1
    • BRD-K95138860-001-01-6
    • 135-58-0

  • Applications

    Mesulfen (CAS 135-58-0) is primarily used as an intermediate in organic synthesis and as a processing aid in various industrial formulations. It may function as a solvent or co-solvent in certain processes and as a reactive intermediate for the production of specialty chemicals. In perfumery and cosmetics, it may serve as a fragrance fixative or odorant component under appropriate regulatory controls. In coatings, inks, and adhesives, it can appear as an auxiliary additive to influence performance or stability. In polymers and plastics, it has been evaluated as a processing aid or stabilizer. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.26
    methanol 18.01
    isopropanol 28.29
    water 0.01
    ethyl acetate 319.23
    n-propanol 49.47
    acetone 395.68
    n-butanol 51.6
    acetonitrile 98.08
    DMF 1384.51
    toluene 500.16
    isobutanol 41.29
    1,4-dioxane 1012.04
    methyl acetate 346.0
    THF 1537.22
    2-butanone 419.37
    n-pentanol 47.77
    sec-butanol 39.06
    n-hexane 19.58
    ethylene glycol 10.0
    NMP 1446.91
    cyclohexane 65.37
    DMSO 330.44
    n-butyl acetate 347.51
    n-octanol 54.78
    chloroform 787.12
    n-propyl acetate 235.27
    acetic acid 66.74
    dichloromethane 893.86
    cyclohexanone 933.98
    propylene glycol 18.56
    isopropyl acetate 228.14
    DMAc 1061.0
    2-ethoxyethanol 122.22
    isopentanol 55.28
    n-heptane 30.81
    ethyl formate 192.73
    1,2-dichloroethane 741.16
    n-hexanol 86.76
    2-methoxyethanol 179.24
    isobutyl acetate 205.87
    tetrachloromethane 78.7
    n-pentyl acetate 205.16
    transcutol 425.95
    n-heptanol 52.66
    ethylbenzene 194.26
    MIBK 216.0
    2-propoxyethanol 211.75
    tert-butanol 48.56
    MTBE 163.97
    2-butoxyethanol 124.15
    propionic acid 83.39
    o-xylene 210.82
    formic acid 11.29
    diethyl ether 232.38
    m-xylene 233.7
    p-xylene 214.22
    chlorobenzene 503.25
    dimethyl carbonate 275.47
    n-octane 17.11
    formamide 40.9
    cyclopentanone 1426.09
    2-pentanone 340.28
    anisole 401.29
    cyclopentyl methyl ether 632.15
    gamma-butyrolactone 1298.45
    1-methoxy-2-propanol 129.79
    pyridine 1015.55
    3-pentanone 394.16
    furfural 1023.94
    n-dodecane 12.91
    diethylene glycol 108.3
    diisopropyl ether 89.41
    tert-amyl alcohol 53.08
    acetylacetone 489.48
    n-hexadecane 16.18
    acetophenone 375.58
    methyl propionate 376.83
    isopentyl acetate 306.32
    trichloroethylene 1567.51
    n-nonanol 56.58
    cyclohexanol 114.18
    benzyl alcohol 196.23
    2-ethylhexanol 93.63
    isooctanol 51.71
    dipropyl ether 201.83
    1,2-dichlorobenzene 422.33
    ethyl lactate 88.92
    propylene carbonate 610.56
    n-methylformamide 218.92
    2-pentanol 39.14
    n-pentane 15.4
    1-propoxy-2-propanol 156.98
    1-methoxy-2-propyl acetate 409.45
    2-(2-methoxypropoxy) propanol 142.44
    mesitylene 129.09
    ε-caprolactone 728.71
    p-cymene 103.58
    epichlorohydrin 1445.96
    1,1,1-trichloroethane 458.33
    2-aminoethanol 23.6
    morpholine-4-carbaldehyde 1275.76
    sulfolane 1221.94
    2,2,4-trimethylpentane 12.11
    2-methyltetrahydrofuran 773.84
    n-hexyl acetate 236.93
    isooctane 10.33
    2-(2-butoxyethoxy)ethanol 178.52
    sec-butyl acetate 188.64
    tert-butyl acetate 269.62
    decalin 43.33
    glycerin 31.92
    diglyme 463.01
    acrylic acid 90.72
    isopropyl myristate 115.55
    n-butyric acid 123.18
    acetyl acetate 236.61
    di(2-ethylhexyl) phthalate 111.43
    ethyl propionate 232.06
    nitromethane 290.61
    1,2-diethoxyethane 344.57
    benzonitrile 340.42
    trioctyl phosphate 71.34
    1-bromopropane 270.27
    gamma-valerolactone 1620.8
    n-decanol 45.88
    triethyl phosphate 137.01
    4-methyl-2-pentanol 36.57
    propionitrile 120.8
    vinylene carbonate 586.24
    1,1,2-trichlorotrifluoroethane 475.9
    DMS 369.86
    cumene 102.56
    2-octanol 42.76
    2-hexanone 241.78
    octyl acetate 139.37
    limonene 149.49
    1,2-dimethoxyethane 480.62
    ethyl orthosilicate 126.6
    tributyl phosphate 94.51
    diacetone alcohol 198.66
    N,N-dimethylaniline 240.05
    acrylonitrile 199.5
    aniline 320.92
    1,3-propanediol 43.22
    bromobenzene 605.63
    dibromomethane 488.35
    1,1,2,2-tetrachloroethane 993.17
    2-methyl-cyclohexyl acetate 220.71
    tetrabutyl urea 145.12
    diisobutyl methanol 58.96
    2-phenylethanol 213.9
    styrene 276.38
    dioctyl adipate 173.81
    dimethyl sulfate 465.14
    ethyl butyrate 255.72
    methyl lactate 123.57
    butyl lactate 121.47
    diethyl carbonate 184.02
    propanediol butyl ether 82.98
    triethyl orthoformate 189.36
    p-tert-butyltoluene 104.6
    methyl 4-tert-butylbenzoate 221.31
    morpholine 834.6
    tert-butylamine 32.08
    n-dodecanol 39.41
    dimethoxymethane 611.91
    ethylene carbonate 447.85
    cyrene 258.17
    2-ethoxyethyl acetate 353.38
    2-ethylhexyl acetate 293.42
    1,2,4-trichlorobenzene 527.58
    4-methylpyridine 886.76
    dibutyl ether 153.12
    2,6-dimethyl-4-heptanol 58.96
    DEF 575.72
    dimethyl isosorbide 425.3
    tetrachloroethylene 532.49
    eugenol 195.05
    triacetin 259.29
    span 80 129.96
    1,4-butanediol 22.27
    1,1-dichloroethane 387.02
    2-methyl-1-pentanol 60.31
    methyl formate 236.28
    2-methyl-1-butanol 55.04
    n-decane 21.23
    butyronitrile 129.36
    3,7-dimethyl-1-octanol 64.91
    1-chlorooctane 90.33
    1-chlorotetradecane 42.92
    n-nonane 19.96
    undecane 16.01
    tert-butylcyclohexane 32.58
    cyclooctane 31.8
    cyclopentanol 143.15
    tetrahydropyran 720.9
    tert-amyl methyl ether 156.44
    2,5,8-trioxanonane 290.55
    1-hexene 75.4
    2-isopropoxyethanol 107.09
    2,2,2-trifluoroethanol 36.58
    methyl butyrate 297.82

    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