N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide

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  • Identifiers

    CAS number
    95-31-8

    Molecular formula
    C11H14N2S2

    SMILES
    CC(C)(C)NSC1=NC2=CC=CC=C2S1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 58.95%
    Roasted 54.93%
    Sulfurous 48.9%
    Fruity 38.96%
    Burnt 36.21%
    Savory 36.02%
    Fatty 35.62%
    Cooked 34.71%
    Nutty 33.31%
    Coffee 31.36%

     

    Flavor
    Green 38.75%
    Roasted 32.26%
    Earthy 31.7%
    Meaty 25.86%
    Burnt 23.01%
    Vegetable 22.76%
    Sulfury 22.66%
    Tomato leaf 22.43%
    Green pepper 21.96%
    Pepper 21.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.24 (weak acid)

    Molecular weight
    238.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    399°C

    Melting point expt.

    • 104 °C (MIN)

    Flash point

    • 169.1 ˚C est.

    Solubility expt.

    • SOL IN MOST ORG SOLVENTS

  • Synonyms

    • N-tert-Butyl-2-benzothiazolesulfenamide
    • 95-31-8
    • Nocceler NS
    • Vulkacit NZ
    • Pennac Tbbs
    • Accel BNS
    • 2-(TERT-BUTYLAMINOTHIO)BENZOTHIAZOLE
    • Vanax NS
    • 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
    • 2-Benzothiazolesulfenamide, N-tert-butyl-
    • Benzothiazolyl-2-tert-butylsulfenamide
    • N-tert-Butyl-2-benzothiazylsulfenamide
    • Santocure NS vulcanization accelerator
    • N-tert-Butyl-2-benzothiazolyl sulfenamide
    • W468IFJ99C
    • DTXSID7026572
    • NSC-84176
    • DTXCID506572
    • RefChem:823300
    • N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
    • 202-409-1
    • Santocure NS
    • S-(Benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine
    • C11H14N2S2
    • MFCD00022873
    • NSC 84176
    • N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
    • 2-[(tert-Butylamino)sulfanyl]-1,3-benzothiazole
    • Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
    • NS-P; NSC 84176; NSG; Nocceler NS-P; Perkacit TBBS
    • S-(Benzo[d]thiazol-2-yl)-N-(tert-butyl)-thiohydroxylamine
    • N-tert-Butylbenzothiazole-2-sulphenamide
    • Accelerator BBTS
    • Akrochem BBTS
    • NTBBTS
    • TBBS
    • N-t-Butylbenzothiazylsulfenamide
    • HSDB 5288
    • EINECS 202-409-1
    • N-t-Butyl-2-benzothiazolesulfenamide
    • BRN 0158370
    • UNII-W468IFJ99C
    • N-(1,1-Dimethylethyl)benzothiazolesulfenamide
    • Santocure TBBS
    • Perkacit TBBS
    • Delac NS
    • Vanax TBSI
    • Vulkacit NZ/EG
    • N-tert-Butyl-2-benzothiazosulfenamide
    • BBTS
    • SULFENAMIDE TBBS
    • RHENOGRAN TBBS 80
    • EC 202-409-1
    • SCHEMBL80374
    • SCHEMBL1901066
    • CHEMBL3182037
    • SCHEMBL29370541
    • Butyl 2-benzothiazole sulfenamide
    • HMS1675L02
    • N-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-propan-2-amine
    • NSC84176
    • Tox21_200895
    • MSK001865
    • STK771202
    • n-t-butyl-2-benzothiazole sulfenamide
    • AKOS000520589
    • benzothiazol-2-ylthio(tert-butyl)amine
    • N-t-Butyl-2-benzothiazole-sulfenamide
    • N-tert-Butyl-2-benzothiazolesulfenamid
    • FB33606
    • N-t-Butyl-2-benzothioazole sulfenamide
    • CAS-95-31-8
    • N-t-Butyl-O-benzothiazole-2-sulfenamide
    • n-tert-butyl-2-benzothiazole sulfenamide
    • N-tert-Butyl-2-benzothiazolesulphenamide
    • N-tert-Butyl-2-benzothiazolylsulfenamide
    • NCGC00248869-01
    • NCGC00258449-01
    • WLN: T56 BN DSJ CSMX1&1&1
    • AS-15571
    • N-tert-butyl-2-(4-piperidyloxy)acetamide
    • ST093777
    • DB-057575
    • 2-Benzothiazolesulfenamide,1-dimethylethyl)-
    • EU-0002407
    • NS00009355
    • D70664
    • AG-690/12868295
    • BUTYL-2-BENZOTHIAZOLE SULFENAMIDE, N-TERT-
    • N-TERT- BUTYL-2-BENZOTHIAZOLE SULFENAMIDE
    • SR-01000408154
    • 2-(TERT-BUTYLAMINOTHIO)BENZOTHIAZOLE [HSDB]
    • 2-[(tert-Butylamino)sulfanyl]-1,3-benzothiazole #
    • SR-01000408154-1
    • Q27292283
    • (13-BENZOTHIAZOL-2-YLSULFANYL)(TERT-BUTYL)AMINE
    • N-[(1,3-Benzothiazol-2-yl)sulfanyl]-2-methylpropan-2-amine
    • 95-31-8

  • Applications

    N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide (TBBS) is a sulfur vulcanization accelerator widely used in rubber and elastomer manufacturing. In polymer compounding, it accelerates cures for natural rubber and synthetic rubbers such as NR, SBR, BR, and IR, offering faster cure rates, improved heat aging resistance, and better scorch safety. It is commonly employed in tire tread formulations, belts, hoses, and other elastomeric components where reliable curing and processing stability are critical. TBBS is often used as part of a multi-accelerator system to balance cure speed and processing safety in industrial rubber compounds, and may be used in other rubber-based products depending on formulation and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.42
    methanol 54.16
    isopropanol 41.81
    water 0.07
    ethyl acetate 100.34
    n-propanol 63.85
    acetone 164.89
    n-butanol 67.98
    acetonitrile 47.66
    DMF 818.44
    toluene 84.61
    isobutanol 57.35
    1,4-dioxane 186.24
    methyl acetate 130.41
    THF 546.34
    2-butanone 207.63
    n-pentanol 62.58
    sec-butanol 60.71
    n-hexane 7.7
    ethylene glycol 24.6
    NMP 522.9
    cyclohexane 13.41
    DMSO 268.66
    n-butyl acetate 144.56
    n-octanol 92.58
    chloroform 204.79
    n-propyl acetate 103.11
    acetic acid 61.42
    dichloromethane 158.54
    cyclohexanone 308.89
    propylene glycol 54.87
    isopropyl acetate 71.94
    DMAc 651.56
    2-ethoxyethanol 127.95
    isopentanol 64.02
    n-heptane 11.14
    ethyl formate 84.8
    1,2-dichloroethane 130.53
    n-hexanol 100.0
    2-methoxyethanol 208.47
    isobutyl acetate 98.81
    tetrachloromethane 16.02
    n-pentyl acetate 107.42
    transcutol 361.59
    n-heptanol 67.98
    ethylbenzene 53.34
    MIBK 95.98
    2-propoxyethanol 215.72
    tert-butanol 52.02
    MTBE 84.46
    2-butoxyethanol 128.13
    propionic acid 65.93
    o-xylene 47.61
    formic acid 25.44
    diethyl ether 64.48
    m-xylene 52.94
    p-xylene 71.86
    chlorobenzene 114.53
    dimethyl carbonate 95.16
    n-octane 7.78
    formamide 42.85
    cyclopentanone 447.36
    2-pentanone 154.54
    anisole 137.78
    cyclopentyl methyl ether 212.42
    gamma-butyrolactone 364.83
    1-methoxy-2-propanol 172.36
    pyridine 246.99
    3-pentanone 133.71
    furfural 335.9
    n-dodecane 9.16
    diethylene glycol 138.03
    diisopropyl ether 24.2
    tert-amyl alcohol 66.47
    acetylacetone 169.08
    n-hexadecane 10.36
    acetophenone 152.0
    methyl propionate 144.61
    isopentyl acetate 143.4
    trichloroethylene 316.8
    n-nonanol 85.58
    cyclohexanol 91.0
    benzyl alcohol 115.74
    2-ethylhexanol 78.57
    isooctanol 57.47
    dipropyl ether 75.88
    1,2-dichlorobenzene 99.72
    ethyl lactate 77.54
    propylene carbonate 207.0
    n-methylformamide 156.23
    2-pentanol 48.09
    n-pentane 6.4
    1-propoxy-2-propanol 166.23
    1-methoxy-2-propyl acetate 177.46
    2-(2-methoxypropoxy) propanol 159.8
    mesitylene 26.94
    ε-caprolactone 254.32
    p-cymene 40.3
    epichlorohydrin 388.03
    1,1,1-trichloroethane 92.36
    2-aminoethanol 48.96
    morpholine-4-carbaldehyde 522.42
    sulfolane 398.59
    2,2,4-trimethylpentane 6.1
    2-methyltetrahydrofuran 278.82
    n-hexyl acetate 156.6
    isooctane 3.54
    2-(2-butoxyethoxy)ethanol 189.69
    sec-butyl acetate 81.77
    tert-butyl acetate 83.7
    decalin 10.49
    glycerin 80.33
    diglyme 273.86
    acrylic acid 67.34
    isopropyl myristate 67.15
    n-butyric acid 95.43
    acetyl acetate 55.39
    di(2-ethylhexyl) phthalate 76.54
    ethyl propionate 93.21
    nitromethane 145.98
    1,2-diethoxyethane 137.5
    benzonitrile 134.93
    trioctyl phosphate 56.23
    1-bromopropane 75.67
    gamma-valerolactone 534.68
    n-decanol 67.33
    triethyl phosphate 59.43
    4-methyl-2-pentanol 36.37
    propionitrile 63.26
    vinylene carbonate 183.36
    1,1,2-trichlorotrifluoroethane 235.65
    DMS 138.32
    cumene 36.9
    2-octanol 58.07
    2-hexanone 138.84
    octyl acetate 92.53
    limonene 61.76
    1,2-dimethoxyethane 249.91
    ethyl orthosilicate 58.47
    tributyl phosphate 69.33
    diacetone alcohol 121.26
    N,N-dimethylaniline 107.46
    acrylonitrile 91.95
    aniline 107.39
    1,3-propanediol 64.91
    bromobenzene 110.16
    dibromomethane 100.31
    1,1,2,2-tetrachloroethane 272.1
    2-methyl-cyclohexyl acetate 103.81
    tetrabutyl urea 107.57
    diisobutyl methanol 38.76
    2-phenylethanol 124.49
    styrene 68.16
    dioctyl adipate 92.25
    dimethyl sulfate 160.95
    ethyl butyrate 94.67
    methyl lactate 114.74
    butyl lactate 111.99
    diethyl carbonate 64.36
    propanediol butyl ether 171.17
    triethyl orthoformate 83.42
    p-tert-butyltoluene 40.16
    methyl 4-tert-butylbenzoate 110.34
    morpholine 267.94
    tert-butylamine 29.75
    n-dodecanol 52.73
    dimethoxymethane 276.07
    ethylene carbonate 136.35
    cyrene 167.98
    2-ethoxyethyl acetate 151.7
    2-ethylhexyl acetate 130.04
    1,2,4-trichlorobenzene 138.72
    4-methylpyridine 255.5
    dibutyl ether 92.24
    2,6-dimethyl-4-heptanol 38.76
    DEF 218.25
    dimethyl isosorbide 262.31
    tetrachloroethylene 131.28
    eugenol 131.47
    triacetin 138.68
    span 80 137.02
    1,4-butanediol 41.09
    1,1-dichloroethane 110.8
    2-methyl-1-pentanol 64.89
    methyl formate 134.7
    2-methyl-1-butanol 69.19
    n-decane 14.13
    butyronitrile 75.94
    3,7-dimethyl-1-octanol 81.37
    1-chlorooctane 60.72
    1-chlorotetradecane 27.56
    n-nonane 12.79
    undecane 11.18
    tert-butylcyclohexane 9.26
    cyclooctane 5.88
    cyclopentanol 113.19
    tetrahydropyran 203.46
    tert-amyl methyl ether 87.89
    2,5,8-trioxanonane 210.22
    1-hexene 37.89
    2-isopropoxyethanol 99.15
    2,2,2-trifluoroethanol 26.85
    methyl butyrate 137.64

    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