Dithio-2,2'-bis(N-methylbenzamide)

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  • Identifiers

    CAS number
    2527-58-4

    Molecular formula
    C16H16N2O2S2

    SMILES
    CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 62.74%
    Savory 47.0%
    Roasted 46.27%
    Cooked 40.84%
    Sulfurous 40.14%
    Odorless 30.12%
    Cheesy 28.46%
    Burnt 28.43%
    Fruity 26.58%
    Beefy 26.38%

     

    Flavor
    Bitter 43.24%
    Odorless 32.43%
    Roasted 29.63%
    Cooked 28.88%
    Mild 26.45%
    Scallion 21.51%
    Fruity 21.35%
    Taco 21.01%
    Roasted peanuts 20.47%
    Orange flower 20.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.08 (neutral)

    Molecular weight
    332.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    836°C

    Flash point

    • 250.07 ˚C est.

  • Synonyms

    • 2527-58-4
    • benzamide, 2,2'-dithiobis[n-methyl-
    • 2,2'-dithiobis[N-methylbenzamide]
    • Dithio-2,2'-bis(N-methylbenzamide)
    • 2,2'-Dithiobis(N-methylbenzamide)
    • YLD3A8PP4Z
    • Benzamide, 2,2'-dithiobis(N-methyl-
    • DENSIL P
    • EINECS 219-768-5
    • DTXSID3062495
    • RefChem:589838
    • DTXCID3037258
    • 2,2'-disulfanediylbis(N-methylbenzamide)
    • 2,2'-dithiobis[N-methyl-Benzamide]
    • N-methyl-2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide
    • MFCD00025633
    • N-METHYL-2-{[2-(METHYLCARBAMOYL)PHENYL]DISULFANYL}BENZAMIDE
    • UNII-YLD3A8PP4Z
    • 2,2'-Dithiobis[N-methylbenzamide]; Densil P; Dithio-2,2'-bis(N-methylbenzamide)
    • 2,2-Dithiobis[n-methylbenzamide]
    • SCHEMBL751813
    • SCHEMBL29455100
    • Axitinib Impurity 26; Densil P
    • JEVCLNJEBFWVPD-UHFFFAOYSA-N
    • 2,2'-Dithiobis[N-methylbenzamid]
    • 2,2\'-dithiobis[N-methylbenzamide]
    • 2,2''-Dithiobis[N-methyl-benzamide]
    • 2,2'-Dithiobis[N-(methyl)benzamide]
    • AKOS015896158
    • FD61695
    • AC-27378
    • SY074471
    • CS-0379459
    • NS00007370
    • F11630
    • Q27294574
    • 2527-58-4

  • Applications

    Dithio-2,2'-bis(N-methylbenzamide) CAS 2527-58-4 has practical applications primarily as an intermediate in the synthesis of specialty chemicals, may function as a ligand or chelating agent in coordination chemistry and catalysis, serves as a precursor for specialty polymers and materials in the field of materials science, is used as an additive in coatings and inks to improve binding properties and durability, and may be evaluated in formulations for metal processing or surface treatment.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.87
    methanol 3.21
    isopropanol 1.92
    water 0.02
    ethyl acetate 13.78
    n-propanol 2.64
    acetone 18.01
    n-butanol 2.67
    acetonitrile 8.31
    DMF 162.99
    toluene 4.99
    isobutanol 2.01
    1,4-dioxane 20.61
    methyl acetate 16.66
    THF 53.88
    2-butanone 23.39
    n-pentanol 3.59
    sec-butanol 2.65
    n-hexane 0.16
    ethylene glycol 1.15
    NMP 127.75
    cyclohexane 0.27
    DMSO 47.58
    n-butyl acetate 11.98
    n-octanol 1.51
    chloroform 55.39
    n-propyl acetate 11.69
    acetic acid 12.24
    dichloromethane 52.86
    cyclohexanone 45.5
    propylene glycol 1.56
    isopropyl acetate 9.31
    DMAc 175.48
    2-ethoxyethanol 15.6
    isopentanol 2.86
    n-heptane 0.2
    ethyl formate 12.28
    1,2-dichloroethane 33.34
    n-hexanol 3.75
    2-methoxyethanol 20.09
    isobutyl acetate 6.01
    tetrachloromethane 3.27
    n-pentyl acetate 9.44
    transcutol 19.78
    n-heptanol 3.03
    ethylbenzene 3.31
    MIBK 9.34
    2-propoxyethanol 17.03
    tert-butanol 3.05
    MTBE 4.31
    2-butoxyethanol 11.64
    propionic acid 7.79
    o-xylene 3.91
    formic acid 7.11
    diethyl ether 5.3
    m-xylene 3.0
    p-xylene 4.09
    chlorobenzene 14.25
    dimethyl carbonate 17.52
    n-octane 0.15
    formamide 20.38
    cyclopentanone 71.5
    2-pentanone 16.25
    anisole 11.15
    cyclopentyl methyl ether 12.95
    gamma-butyrolactone 75.83
    1-methoxy-2-propanol 13.67
    pyridine 35.9
    3-pentanone 17.24
    furfural 73.26
    n-dodecane 0.15
    diethylene glycol 11.97
    diisopropyl ether 1.29
    tert-amyl alcohol 3.95
    acetylacetone 27.48
    n-hexadecane 0.18
    acetophenone 19.61
    methyl propionate 18.56
    isopentyl acetate 10.51
    trichloroethylene 94.25
    n-nonanol 1.99
    cyclohexanol 4.19
    benzyl alcohol 11.49
    2-ethylhexanol 3.51
    isooctanol 2.74
    dipropyl ether 4.56
    1,2-dichlorobenzene 16.66
    ethyl lactate 9.79
    propylene carbonate 31.33
    n-methylformamide 31.55
    2-pentanol 2.03
    n-pentane 0.13
    1-propoxy-2-propanol 11.59
    1-methoxy-2-propyl acetate 20.21
    2-(2-methoxypropoxy) propanol 12.57
    mesitylene 1.66
    ε-caprolactone 31.42
    p-cymene 2.77
    epichlorohydrin 75.18
    1,1,1-trichloroethane 17.43
    2-aminoethanol 2.7
    morpholine-4-carbaldehyde 87.4
    sulfolane 92.57
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 19.94
    n-hexyl acetate 7.6
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 12.93
    sec-butyl acetate 7.32
    tert-butyl acetate 10.21
    decalin 0.3
    glycerin 5.77
    diglyme 32.45
    acrylic acid 10.99
    isopropyl myristate 3.67
    n-butyric acid 10.14
    acetyl acetate 11.82
    di(2-ethylhexyl) phthalate 6.28
    ethyl propionate 11.45
    nitromethane 46.74
    1,2-diethoxyethane 11.48
    benzonitrile 16.88
    trioctyl phosphate 3.78
    1-bromopropane 8.41
    gamma-valerolactone 97.1
    n-decanol 1.61
    triethyl phosphate 8.52
    4-methyl-2-pentanol 1.7
    propionitrile 8.84
    vinylene carbonate 33.88
    1,1,2-trichlorotrifluoroethane 57.99
    DMS 15.41
    cumene 2.22
    2-octanol 1.89
    2-hexanone 12.98
    octyl acetate 4.74
    limonene 3.8
    1,2-dimethoxyethane 33.19
    ethyl orthosilicate 7.62
    tributyl phosphate 4.92
    diacetone alcohol 14.49
    N,N-dimethylaniline 9.72
    acrylonitrile 17.41
    aniline 10.07
    1,3-propanediol 4.18
    bromobenzene 12.89
    dibromomethane 23.71
    1,1,2,2-tetrachloroethane 60.87
    2-methyl-cyclohexyl acetate 10.7
    tetrabutyl urea 9.1
    diisobutyl methanol 2.16
    2-phenylethanol 11.73
    styrene 4.76
    dioctyl adipate 7.76
    dimethyl sulfate 41.94
    ethyl butyrate 11.02
    methyl lactate 15.16
    butyl lactate 9.58
    diethyl carbonate 8.58
    propanediol butyl ether 6.21
    triethyl orthoformate 9.39
    p-tert-butyltoluene 2.42
    methyl 4-tert-butylbenzoate 15.85
    morpholine 26.44
    tert-butylamine 1.57
    n-dodecanol 1.33
    dimethoxymethane 35.4
    ethylene carbonate 23.37
    cyrene 25.46
    2-ethoxyethyl acetate 17.67
    2-ethylhexyl acetate 8.98
    1,2,4-trichlorobenzene 21.43
    4-methylpyridine 28.91
    dibutyl ether 3.18
    2,6-dimethyl-4-heptanol 2.16
    DEF 37.03
    dimethyl isosorbide 31.52
    tetrachloroethylene 32.95
    eugenol 17.64
    triacetin 13.67
    span 80 9.08
    1,4-butanediol 2.84
    1,1-dichloroethane 18.0
    2-methyl-1-pentanol 4.05
    methyl formate 25.36
    2-methyl-1-butanol 2.94
    n-decane 0.22
    butyronitrile 7.87
    3,7-dimethyl-1-octanol 2.05
    1-chlorooctane 1.43
    1-chlorotetradecane 0.73
    n-nonane 0.17
    undecane 0.17
    tert-butylcyclohexane 0.24
    cyclooctane 0.1
    cyclopentanol 6.3
    tetrahydropyran 13.05
    tert-amyl methyl ether 5.3
    2,5,8-trioxanonane 22.7
    1-hexene 1.32
    2-isopropoxyethanol 10.39
    2,2,2-trifluoroethanol 10.86
    methyl butyrate 16.54

    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