o-Tolylbiguanide

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  • Identifiers

    CAS number
    93-69-6

    Molecular formula
    C9H13N5

    SMILES
    CC1=CC=CC=C1N=C(N)N=C(N)N

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 39.71%
    Meaty 31.17%
    Fishy 30.36%
    Savory 25.99%
    Cheesy 25.8%
    Cooked 23.86%
    Ripe 23.55%
    Pungent 21.87%
    Roasted 20.99%
    Cooling 20.4%

     

    Flavor
    Bitter 42.21%
    Odorless 30.75%
    Roasted 27.54%
    Mild 24.79%
    Nitrile 21.6%
    Cooked 21.01%
    Taco 20.56%
    Roasted peanuts 20.44%
    Bread crust 20.41%
    Scallion 20.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.86 (neutral)

    Molecular weight
    191.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 177.09 ˚C est.

  • Synonyms

    • 93-69-6
    • o-Tolylbiguanide
    • 1-o-Tolylbiguanide
    • 2-Tolylbiguanide
    • Aliant
    • Sopanox
    • N-(2-Methylphenyl)imidodicarbonimidic diamide
    • Imidodicarbonimidic diamide, N-(2-methylphenyl)-
    • 5T9Z06LCV4
    • NSC164906
    • ortho-tolylbiguanide
    • RefChem:483811
    • 202-268-6
    • 1-(o-Tolyl)biguanide
    • o-Tolyl biguanide
    • o-Tolyldiguanide
    • Vulkacit 1000
    • Nocceler BG
    • Eponoc B
    • 1-carbamimidamido-N-(2-methylphenyl)methanimidamide
    • MFCD00019731
    • BIGUANIDE, 1-o-TOLYL-
    • NSC 164906
    • 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
    • 147140-65-6
    • DTXSID3042051
    • NSC-164906
    • Imidodicarbonimidic diamide, N-(methylphenyl)- (9CI)
    • EINECS 202-268-6
    • amino{imino[(2-methylphenyl)amino]methyl}carboxamidine
    • BRN 0612193
    • UNII-5T9Z06LCV4
    • Dimotol
    • a-o-Tolyl-biguanid
    • 1-(diaminomethylene)-2-(o-tolyl)guanidine
    • Maybridge4_003206
    • EC 202-268-6
    • Imidodicarbonimidic diamide, N-(methylphenyl)-
    • SCHEMBL38790
    • 1-(o-Tolyl)biguanide, 98%
    • CHEMBL3183356
    • DTXCID1022051
    • SCHEMBL14879645
    • SCHEMBL19038554
    • SCHEMBL19038580
    • SQZCAOHYQSOZCE-UHFFFAOYSA-
    • 1-O-TOLYLBIGUANIDE [II]
    • ALBB-022019
    • NSC51980
    • Tox21_301315
    • MSK165273
    • NSC-51980
    • SBB016588
    • STK102789
    • AKOS001011970
    • CAS-93-69-6
    • NCGC00255718-01
    • LS-06768
    • SY051926
    • DB-057421
    • CS-0152951
    • N-(2-Methylphenyl)triimidodicarbonic diamide
    • NS00009458
    • ST50106256
    • T0314
    • EN300-59645
    • E76531
    • F355653
    • BRD-K61920698-003-01-1
    • Q27262844
    • Z56791567
    • F3297-0020
    • 1-{[{[AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]AMINO}-2-METHYLBENZENE
    • InChI=1/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
    • 93-69-6

  • Applications

    o-Tolylbiguanide (CAS 93-69-6) is primarily used as an organic synthesis intermediate, serving as a building block for the preparation of biguanide-containing compounds and related specialty chemicals. In industry, it may function as a precursor or a crosslinking component in polymer and resin systems; as a starting material in the synthesis of pharmaceutical and agricultural (agrochemical) actives; as an intermediate in dye and pigment chemistry; and as a laboratory reagent or research building block for investigations into biguanide chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.73
    methanol 21.17
    isopropanol 3.88
    water 6.43
    ethyl acetate 4.59
    n-propanol 5.81
    acetone 5.78
    n-butanol 3.9
    acetonitrile 1.76
    DMF 94.6
    toluene 0.49
    isobutanol 3.38
    1,4-dioxane 1.86
    methyl acetate 4.62
    THF 20.05
    2-butanone 4.83
    n-pentanol 2.84
    sec-butanol 2.77
    n-hexane 0.14
    ethylene glycol 21.61
    NMP 71.61
    cyclohexane 0.06
    DMSO 105.86
    n-butyl acetate 4.04
    n-octanol 1.13
    chloroform 3.42
    n-propyl acetate 2.96
    acetic acid 27.02
    dichloromethane 2.37
    cyclohexanone 6.48
    propylene glycol 24.96
    isopropyl acetate 2.54
    DMAc 79.28
    2-ethoxyethanol 16.74
    isopentanol 2.77
    n-heptane 0.11
    ethyl formate 7.66
    1,2-dichloroethane 1.52
    n-hexanol 3.01
    2-methoxyethanol 48.15
    isobutyl acetate 1.99
    tetrachloromethane 1.08
    n-pentyl acetate 2.28
    transcutol 15.99
    n-heptanol 1.95
    ethylbenzene 0.27
    MIBK 2.5
    2-propoxyethanol 21.36
    tert-butanol 3.27
    MTBE 1.15
    2-butoxyethanol 9.91
    propionic acid 14.28
    o-xylene 0.5
    formic acid 51.33
    diethyl ether 1.04
    m-xylene 0.55
    p-xylene 0.47
    chlorobenzene 0.98
    dimethyl carbonate 12.81
    n-octane 0.05
    formamide 49.31
    cyclopentanone 20.64
    2-pentanone 4.13
    anisole 1.38
    cyclopentyl methyl ether 4.71
    gamma-butyrolactone 34.99
    1-methoxy-2-propanol 28.96
    pyridine 3.57
    3-pentanone 3.13
    furfural 34.32
    n-dodecane 0.03
    diethylene glycol 31.94
    diisopropyl ether 0.36
    tert-amyl alcohol 2.89
    acetylacetone 7.51
    n-hexadecane 0.04
    acetophenone 3.13
    methyl propionate 9.65
    isopentyl acetate 3.66
    trichloroethylene 5.22
    n-nonanol 1.11
    cyclohexanol 1.97
    benzyl alcohol 3.39
    2-ethylhexanol 1.57
    isooctanol 1.49
    dipropyl ether 1.44
    1,2-dichlorobenzene 1.31
    ethyl lactate 8.24
    propylene carbonate 18.35
    n-methylformamide 38.52
    2-pentanol 1.75
    n-pentane 0.1
    1-propoxy-2-propanol 12.22
    1-methoxy-2-propyl acetate 9.93
    2-(2-methoxypropoxy) propanol 9.72
    mesitylene 0.35
    ε-caprolactone 9.13
    p-cymene 0.52
    epichlorohydrin 18.61
    1,1,1-trichloroethane 1.7
    2-aminoethanol 23.32
    morpholine-4-carbaldehyde 41.0
    sulfolane 68.59
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 5.48
    n-hexyl acetate 2.6
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 11.27
    sec-butyl acetate 1.62
    tert-butyl acetate 2.91
    decalin 0.07
    glycerin 59.74
    diglyme 19.34
    acrylic acid 20.89
    isopropyl myristate 0.83
    n-butyric acid 13.28
    acetyl acetate 3.77
    di(2-ethylhexyl) phthalate 3.19
    ethyl propionate 3.34
    nitromethane 34.24
    1,2-diethoxyethane 2.01
    benzonitrile 2.16
    trioctyl phosphate 2.06
    1-bromopropane 0.67
    gamma-valerolactone 33.92
    n-decanol 0.8
    triethyl phosphate 3.4
    4-methyl-2-pentanol 1.2
    propionitrile 2.11
    vinylene carbonate 16.45
    1,1,2-trichlorotrifluoroethane 53.77
    DMS 5.2
    cumene 0.32
    2-octanol 0.9
    2-hexanone 2.59
    octyl acetate 1.51
    limonene 0.62
    1,2-dimethoxyethane 12.0
    ethyl orthosilicate 2.78
    tributyl phosphate 2.38
    diacetone alcohol 9.11
    N,N-dimethylaniline 1.58
    acrylonitrile 4.31
    aniline 2.6
    1,3-propanediol 20.59
    bromobenzene 0.68
    dibromomethane 1.4
    1,1,2,2-tetrachloroethane 5.31
    2-methyl-cyclohexyl acetate 3.16
    tetrabutyl urea 3.39
    diisobutyl methanol 0.82
    2-phenylethanol 3.59
    styrene 0.31
    dioctyl adipate 2.07
    dimethyl sulfate 39.43
    ethyl butyrate 3.03
    methyl lactate 25.3
    butyl lactate 6.25
    diethyl carbonate 2.95
    propanediol butyl ether 10.73
    triethyl orthoformate 3.29
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 6.14
    morpholine 5.91
    tert-butylamine 1.07
    n-dodecanol 0.56
    dimethoxymethane 25.19
    ethylene carbonate 10.84
    cyrene 15.81
    2-ethoxyethyl acetate 4.54
    2-ethylhexyl acetate 2.68
    1,2,4-trichlorobenzene 2.4
    4-methylpyridine 3.37
    dibutyl ether 0.57
    2,6-dimethyl-4-heptanol 0.82
    DEF 9.68
    dimethyl isosorbide 17.01
    tetrachloroethylene 3.83
    eugenol 7.87
    triacetin 4.61
    span 80 7.85
    1,4-butanediol 8.37
    1,1-dichloroethane 1.24
    2-methyl-1-pentanol 2.25
    methyl formate 27.48
    2-methyl-1-butanol 2.87
    n-decane 0.06
    butyronitrile 1.93
    3,7-dimethyl-1-octanol 1.0
    1-chlorooctane 0.27
    1-chlorotetradecane 0.12
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.08
    cyclooctane 0.04
    cyclopentanol 5.83
    tetrahydropyran 1.63
    tert-amyl methyl ether 1.45
    2,5,8-trioxanonane 14.18
    1-hexene 0.42
    2-isopropoxyethanol 7.57
    2,2,2-trifluoroethanol 21.37
    methyl butyrate 4.9

    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