Di-o-tolylguanidine

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  • Identifiers

    CAS number
    97-39-2

    Molecular formula
    C15H17N3

    SMILES
    CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Grape 34.86%
    Meaty 33.0%
    Fruity 31.34%
    Animal 29.74%
    Cheesy 29.25%
    Floral 27.21%
    Ripe 25.57%
    Savory 25.37%
    Cooked 25.36%
    Citrus 25.32%

     

    Flavor
    Bitter 33.6%
    Mild 28.56%
    Roasted 23.14%
    Odorless 22.04%
    Nitrile 21.67%
    Very strong 21.08%
    Orange flower 20.98%
    Scallion 20.82%
    Indole 20.65%
    Meaty 20.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.89 (neutral)

    Molecular weight
    239.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Melting point expt.

    • 179 °C

    Flash point

    • 198.94 ˚C est.

    Solubility expt.

    • SLIGHTLY SOL IN HOT WATER, ALC; VERY SOL IN ETHER; SOL IN CHLOROFORM
    • >35.9 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • 1,3-Di-o-tolylguanidine
    • 97-39-2
    • Di-o-tolylguanidine
    • DOTG
    • Vulkacit DOTG
    • Eveite DOTG
    • Nocceler DT
    • Vulkacite DOTG
    • 1,3-Bis(o-tolyl)guanidine
    • Sanceler DT
    • Soxinol DT
    • Akrochem DOTG
    • Vulcafor DOTG
    • 1,3-Ditolylguanidine
    • Diorthotolylguanidine
    • Vulkacit dotg/C
    • 1,2-bis(2-methylphenyl)guanidine
    • DOTG accelerator
    • N,N'-Di-o-tolylguanidine
    • Guanidine, 1,3-di-o-tolyl-
    • Guanidine, N,N'-bis(2-methylphenyl)-
    • USAF A-6598
    • N,N'-BIS(2-METHYLPHENYL)GUANIDINE
    • CNS 1001
    • DTXSID2026606
    • Guanidine, 1,3-di(2-tolyl)-
    • LL2P01I17O
    • NSC-473
    • NSC-132023
    • DTXCID206606
    • 1,3-di-(2-tolyl)guanidine
    • 1,3-di-ortho-tolyl-guanidine
    • RefChem:821755
    • 202-577-6
    • ditolylguanidine
    • DTG
    • 1,3-Di-o-tolyguanidine
    • NSC 473
    • 1,3-Di-2-tolylguanidine
    • NSC 132023
    • MFCD00008513
    • 1,3-Di-o-tolylguanidine;DTG
    • NSC473
    • Guanidine,3-di-o-tolyl-
    • WLN: 1R BMYUM & MR B1
    • Guanidine,N'-bis(2-methylphenyl)-
    • 1,2-bis(o-tolyl)guanidine
    • N,N'-Di-o-tolueylguanidine
    • HSDB 5307
    • EINECS 202-577-6
    • [3H]-di-o-tolylguanidine
    • [3H]DOTG
    • BRN 2653884
    • {imino[(2-methylphenyl)amino]methyl}(2-methylphenyl)amine
    • UNII-LL2P01I17O
    • AI3-14630
    • Acrochem DOTG
    • Perkacit DOTG
    • Ekaland DOTG
    • Tol2Gdn
    • Vanax DOTG
    • Tocris-0841
    • N,N-Di-O-tolylguanidine
    • 1,3-Di-o-tolylquanidine
    • RHENOGRAN DOTG 70
    • EC 202-577-6
    • N,N'-Di-o-toluylguanidine
    • cid_7333
    • SCHEMBL35348
    • SCHEMBL80339
    • D.O.T.G
    • MLS001359937
    • 1,2-di-(2-tolyl)guanidine
    • N,N'-Di-ortho-tolylguanidine
    • SCHEMBL158674
    • 1,3-Bis(2-o-tolyl)guanidine
    • CHEMBL282433
    • GTPL6684
    • GTPL6685
    • SCHEMBL3388414
    • SCHEMBL29364709
    • SCHEMBL30468948
    • BDBM81982
    • CHEBI:92585
    • 1,3-Di-o-tolylguanidine, 99%
    • HMS3075A17
    • HMS3266J18
    • HMS3411P07
    • HMS3675P07
    • Tox21_200712
    • BDBM50009307
    • MSK001868
    • NSC132023
    • PDSP1_001846
    • PDSP2_001829
    • SBB057759
    • AKOS015840511
    • AKOS015916211
    • AKOS040758839
    • N,N'-Bis(2-methylphenyl)guanidine #
    • MSK001868-100A
    • CAS-97-39-2
    • CAS_97-39-2
    • NCGC00024819-01
    • NCGC00024819-02
    • NCGC00248806-01
    • NCGC00258266-01
    • DA-72810
    • HY-14218
    • LS-14397
    • NCI60_004115
    • SMR001224330
    • ST080582
    • SY057101
    • MSK001868-100
    • CS-0002933
    • D0953
    • NS00008988
    • F71311
    • A858635
    • N,N'-BIS(2-METHYLPHENYL)GUANIDINE [HSDB]
    • Q426022
    • SR-01000597454
    • SR-01000597454-1
    • BRD-K33459542-001-02-5
    • BRD-K33459542-001-07-4
    • Di-o-tolylguanidine Solution in Acetonitrile, 100?g/mL
    • 97-39-2

  • Applications

    Di-o-tolylguanidine (CAS 97-39-2) is primarily used as an organic synthesis intermediate. In industrial applications, it may be used as a catalyst or curing accelerator in polymer systems, including rubbers and thermosetting resins, and may serve as a processing aid or stabilizer in certain formulations. In coatings, inks, and adhesives, it can function as a crosslinking modifier or performance additive to influence cure behavior and material properties. Its use is formulation-specific and subject to local regulations and handling requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.24
    methanol 31.62
    isopropanol 7.42
    water 0.15
    ethyl acetate 21.78
    n-propanol 14.63
    acetone 44.5
    n-butanol 12.38
    acetonitrile 11.21
    DMF 363.65
    toluene 3.83
    isobutanol 8.51
    1,4-dioxane 40.97
    methyl acetate 20.82
    THF 142.61
    2-butanone 34.96
    n-pentanol 10.83
    sec-butanol 6.24
    n-hexane 0.36
    ethylene glycol 10.19
    NMP 107.21
    cyclohexane 0.27
    DMSO 258.68
    n-butyl acetate 24.17
    n-octanol 7.18
    chloroform 92.55
    n-propyl acetate 14.06
    acetic acid 30.72
    dichloromethane 74.88
    cyclohexanone 43.28
    propylene glycol 9.95
    isopropyl acetate 12.91
    DMAc 273.37
    2-ethoxyethanol 31.84
    isopentanol 10.5
    n-heptane 0.64
    ethyl formate 26.47
    1,2-dichloroethane 53.26
    n-hexanol 18.96
    2-methoxyethanol 72.73
    isobutyl acetate 11.67
    tetrachloromethane 6.06
    n-pentyl acetate 13.65
    transcutol 44.18
    n-heptanol 12.28
    ethylbenzene 3.19
    MIBK 16.75
    2-propoxyethanol 56.51
    tert-butanol 11.09
    MTBE 9.58
    2-butoxyethanol 32.95
    propionic acid 18.09
    o-xylene 3.63
    formic acid 23.69
    diethyl ether 9.83
    m-xylene 3.96
    p-xylene 4.93
    chlorobenzene 19.58
    dimethyl carbonate 39.56
    n-octane 0.41
    formamide 39.11
    cyclopentanone 108.96
    2-pentanone 26.41
    anisole 17.05
    cyclopentyl methyl ether 23.69
    gamma-butyrolactone 103.1
    1-methoxy-2-propanol 43.93
    pyridine 39.11
    3-pentanone 24.1
    furfural 94.85
    n-dodecane 0.44
    diethylene glycol 48.7
    diisopropyl ether 2.48
    tert-amyl alcohol 8.93
    acetylacetone 44.95
    n-hexadecane 0.5
    acetophenone 19.19
    methyl propionate 33.17
    isopentyl acetate 22.62
    trichloroethylene 118.47
    n-nonanol 7.95
    cyclohexanol 6.45
    benzyl alcohol 13.96
    2-ethylhexanol 10.66
    isooctanol 9.44
    dipropyl ether 12.99
    1,2-dichlorobenzene 24.17
    ethyl lactate 15.25
    propylene carbonate 46.09
    n-methylformamide 76.19
    2-pentanol 5.13
    n-pentane 0.21
    1-propoxy-2-propanol 31.72
    1-methoxy-2-propyl acetate 32.74
    2-(2-methoxypropoxy) propanol 23.38
    mesitylene 2.7
    ε-caprolactone 32.41
    p-cymene 4.69
    epichlorohydrin 133.2
    1,1,1-trichloroethane 28.18
    2-aminoethanol 17.05
    morpholine-4-carbaldehyde 97.22
    sulfolane 154.86
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 30.85
    n-hexyl acetate 15.36
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 30.7
    sec-butyl acetate 8.4
    tert-butyl acetate 14.93
    decalin 0.51
    glycerin 26.63
    diglyme 67.8
    acrylic acid 21.84
    isopropyl myristate 7.09
    n-butyric acid 30.63
    acetyl acetate 18.05
    di(2-ethylhexyl) phthalate 11.88
    ethyl propionate 16.29
    nitromethane 90.92
    1,2-diethoxyethane 18.49
    benzonitrile 17.38
    trioctyl phosphate 8.75
    1-bromopropane 12.45
    gamma-valerolactone 114.03
    n-decanol 6.34
    triethyl phosphate 13.49
    4-methyl-2-pentanol 5.23
    propionitrile 14.71
    vinylene carbonate 48.36
    1,1,2-trichlorotrifluoroethane 97.25
    DMS 22.98
    cumene 3.21
    2-octanol 5.93
    2-hexanone 17.81
    octyl acetate 10.19
    limonene 5.44
    1,2-dimethoxyethane 67.9
    ethyl orthosilicate 12.5
    tributyl phosphate 9.9
    diacetone alcohol 25.06
    N,N-dimethylaniline 12.72
    acrylonitrile 25.53
    aniline 12.63
    1,3-propanediol 24.13
    bromobenzene 17.13
    dibromomethane 35.86
    1,1,2,2-tetrachloroethane 98.06
    2-methyl-cyclohexyl acetate 16.44
    tetrabutyl urea 14.65
    diisobutyl methanol 6.09
    2-phenylethanol 20.78
    styrene 4.32
    dioctyl adipate 12.15
    dimethyl sulfate 84.7
    ethyl butyrate 16.82
    methyl lactate 34.31
    butyl lactate 16.33
    diethyl carbonate 13.7
    propanediol butyl ether 18.07
    triethyl orthoformate 15.46
    p-tert-butyltoluene 4.53
    methyl 4-tert-butylbenzoate 24.69
    morpholine 48.15
    tert-butylamine 4.73
    n-dodecanol 4.81
    dimethoxymethane 124.2
    ethylene carbonate 35.82
    cyrene 29.78
    2-ethoxyethyl acetate 22.66
    2-ethylhexyl acetate 17.19
    1,2,4-trichlorobenzene 28.58
    4-methylpyridine 26.37
    dibutyl ether 7.06
    2,6-dimethyl-4-heptanol 6.09
    DEF 47.28
    dimethyl isosorbide 46.79
    tetrachloroethylene 53.32
    eugenol 26.51
    triacetin 18.38
    span 80 18.96
    1,4-butanediol 9.54
    1,1-dichloroethane 27.54
    2-methyl-1-pentanol 10.04
    methyl formate 63.35
    2-methyl-1-butanol 9.44
    n-decane 0.66
    butyronitrile 14.2
    3,7-dimethyl-1-octanol 7.16
    1-chlorooctane 4.19
    1-chlorotetradecane 1.94
    n-nonane 0.51
    undecane 0.53
    tert-butylcyclohexane 0.6
    cyclooctane 0.15
    cyclopentanol 11.84
    tetrahydropyran 21.39
    tert-amyl methyl ether 8.86
    2,5,8-trioxanonane 44.43
    1-hexene 2.47
    2-isopropoxyethanol 18.78
    2,2,2-trifluoroethanol 18.18
    methyl butyrate 23.21

    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