Guanidine

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  • Identifiers

    CAS number
    113-00-8

    Molecular formula
    CH5N3

    SMILES
    C(=N)(N)N

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 59.53%
    Fishy 40.33%
    Pungent 29.15%
    Cheesy 25.2%
    Ripe 20.89%
    Meaty 19.2%
    Sulfurous 19.02%
    Savory 17.3%
    Cooked 16.61%
    Radish 15.06%

     

    Flavor
    Odorless 38.52%
    Mustard 25.79%
    Pungent 25.33%
    Bitter 25.27%
    Sulfur 21.64%
    Mousy 21.51%
    Formyl 21.2%
    Rotten 20.47%
    Decomposing cabbage 19.29%
    Garlic 19.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    8.08 (weak base)

    Molecular weight
    59.07 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    253°C

    Melting point expt.

    • 50 °C
    • 182.3 °C

    Flash point

    • 75.87 ˚C est.

    Solubility expt.

    • 1840 mg/L (at 20 °C)
    • In water, 1,840 mg/L at 25 °C
    • 829 mg/mL

  • Synonyms

    • guanidine
    • 113-00-8
    • Iminourea
    • Aminomethanamidine
    • Carbamidine
    • Carbamamidine
    • Imidourea
    • Aminoformamidine
    • Guanidin
    • JU58VJ6Y3B
    • H2N-C(=NH)-NH2
    • CHEBI:42820
    • DTXSID0023117
    • Phosphate, Guanidine
    • Monohydrate, Guanidine
    • RefChem:782773
    • Monohydroiodine, Guanidine
    • DTXCID603117
    • 204-021-8
    • Guanidine, free base
    • CH5N3
    • Guanidine, Hydrochloride
    • Gu
    • GAI
    • EINECS 204-021-8
    • UNII-JU58VJ6Y3B
    • BRN 0506044
    • HSDB 7603
    • GZ6
    • Ribavirin Impurity T
    • GUANIDINE [MI]
    • GUANIDINE [HSDB]
    • GUANIDINE [VANDF]
    • CHEMBL821
    • Epitope ID:140101
    • GUANIDINE [WHO-DD]
    • SCHEMBL2002
    • SCHEMBL2003
    • NCIOpen2_007946
    • SCHEMBL67960
    • 4-03-00-00148 (Beilstein Handbook Reference)
    • SCHEMBL159584
    • (NH2)2C=NH
    • GTPL4783
    • orb2646003
    • SCHEMBL6101225
    • BDBM50420178
    • STL223269
    • AKOS009031425
    • DB00536
    • FG152479
    • SBI-0207070.P001
    • CS-0440981
    • NS00013722
    • C17349
    • AB00053583_04
    • 113G008
    • F062221
    • Q183309
    • BRD-K76037122-001-01-7
    • BRD-K76037122-001-02-5
    • A9B89FF5-2922-47CC-82CE-AC4157B624AE
    • 113-00-8

  • Applications

    Guanidine (CAS 113-00-8) is a versatile chemical used primarily as a strong organic base and synthetic intermediate. In industry it serves as a building block for guanidine- and biguanide-containing polymers, including polymeric disinfectants and biocides (for example polyhexamethylene biguanide) used in water treatment, surface sanitization, and healthcare settings. It also acts as a precursor for guanidinium-based catalysts and ionic liquids used in coatings, inks, and specialty polymers. Additionally, guanidine is employed as an intermediate in the synthesis of pharmaceutical and agrochemical compounds bearing a guanidine moiety, and is used in laboratory-scale synthesis and process development as a reactive reagent under controlled conditions. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.57
    methanol 153.79
    isopropanol 19.67
    water 796.81
    ethyl acetate 10.72
    n-propanol 22.42
    acetone 27.58
    n-butanol 12.02
    acetonitrile 17.3
    DMF 276.16
    toluene 1.15
    isobutanol 12.44
    1,4-dioxane 27.35
    methyl acetate 21.08
    THF 29.29
    2-butanone 13.56
    n-pentanol 8.62
    sec-butanol 10.89
    n-hexane 0.82
    ethylene glycol 164.84
    NMP 93.43
    cyclohexane 0.63
    DMSO 84.6
    n-butyl acetate 7.59
    n-octanol 4.06
    chloroform 3.23
    n-propyl acetate 8.57
    acetic acid 99.05
    dichloromethane 3.01
    cyclohexanone 10.52
    propylene glycol 97.54
    isopropyl acetate 5.99
    DMAc 151.52
    2-ethoxyethanol 49.39
    isopentanol 6.57
    n-heptane 0.87
    ethyl formate 24.39
    1,2-dichloroethane 2.49
    n-hexanol 8.46
    2-methoxyethanol 116.4
    isobutyl acetate 5.23
    tetrachloromethane 2.1
    n-pentyl acetate 4.99
    transcutol 31.0
    n-heptanol 6.3
    ethylbenzene 0.59
    MIBK 4.15
    2-propoxyethanol 47.64
    tert-butanol 12.55
    MTBE 5.61
    2-butoxyethanol 30.21
    propionic acid 48.01
    o-xylene 1.15
    formic acid 289.44
    diethyl ether 6.52
    m-xylene 1.04
    p-xylene 0.99
    chlorobenzene 1.1
    dimethyl carbonate 31.94
    n-octane 0.35
    formamide 202.49
    cyclopentanone 22.36
    2-pentanone 7.9
    anisole 3.46
    cyclopentyl methyl ether 9.1
    gamma-butyrolactone 38.01
    1-methoxy-2-propanol 59.78
    pyridine 9.84
    3-pentanone 7.37
    furfural 44.94
    n-dodecane 0.25
    diethylene glycol 88.47
    diisopropyl ether 1.74
    tert-amyl alcohol 8.88
    acetylacetone 13.27
    n-hexadecane 0.26
    acetophenone 5.0
    methyl propionate 20.18
    isopentyl acetate 4.67
    trichloroethylene 3.91
    n-nonanol 3.67
    cyclohexanol 6.27
    benzyl alcohol 6.36
    2-ethylhexanol 3.51
    isooctanol 3.77
    dipropyl ether 5.77
    1,2-dichlorobenzene 1.07
    ethyl lactate 19.78
    propylene carbonate 19.4
    n-methylformamide 145.82
    2-pentanol 5.68
    n-pentane 0.8
    1-propoxy-2-propanol 26.34
    1-methoxy-2-propyl acetate 13.79
    2-(2-methoxypropoxy) propanol 15.59
    mesitylene 0.75
    ε-caprolactone 13.71
    p-cymene 0.98
    epichlorohydrin 17.0
    1,1,1-trichloroethane 1.87
    2-aminoethanol 109.88
    morpholine-4-carbaldehyde 103.09
    sulfolane 41.72
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 10.38
    n-hexyl acetate 5.13
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 20.16
    sec-butyl acetate 4.01
    tert-butyl acetate 5.02
    decalin 0.3
    glycerin 198.06
    diglyme 40.75
    acrylic acid 73.68
    isopropyl myristate 1.8
    n-butyric acid 23.77
    acetyl acetate 8.8
    di(2-ethylhexyl) phthalate 4.26
    ethyl propionate 8.04
    nitromethane 114.24
    1,2-diethoxyethane 6.76
    benzonitrile 3.92
    trioctyl phosphate 3.45
    1-bromopropane 1.24
    gamma-valerolactone 50.98
    n-decanol 2.65
    triethyl phosphate 4.71
    4-methyl-2-pentanol 3.1
    propionitrile 9.52
    vinylene carbonate 21.77
    1,1,2-trichlorotrifluoroethane 55.78
    DMS 10.16
    cumene 0.63
    2-octanol 2.65
    2-hexanone 5.89
    octyl acetate 3.32
    limonene 1.37
    1,2-dimethoxyethane 45.92
    ethyl orthosilicate 4.13
    tributyl phosphate 3.62
    diacetone alcohol 12.04
    N,N-dimethylaniline 3.94
    acrylonitrile 18.36
    aniline 5.18
    1,3-propanediol 63.27
    bromobenzene 0.58
    dibromomethane 1.66
    1,1,2,2-tetrachloroethane 4.15
    2-methyl-cyclohexyl acetate 3.85
    tetrabutyl urea 5.87
    diisobutyl methanol 1.84
    2-phenylethanol 5.65
    styrene 0.74
    dioctyl adipate 3.8
    dimethyl sulfate 53.0
    ethyl butyrate 6.2
    methyl lactate 50.37
    butyl lactate 11.85
    diethyl carbonate 5.59
    propanediol butyl ether 28.7
    triethyl orthoformate 6.13
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 8.64
    morpholine 35.37
    tert-butylamine 5.43
    n-dodecanol 2.0
    dimethoxymethane 70.65
    ethylene carbonate 16.94
    cyrene 20.98
    2-ethoxyethyl acetate 8.88
    2-ethylhexyl acetate 3.67
    1,2,4-trichlorobenzene 1.74
    4-methylpyridine 6.9
    dibutyl ether 2.12
    2,6-dimethyl-4-heptanol 1.84
    DEF 24.8
    dimethyl isosorbide 17.23
    tetrachloroethylene 4.56
    eugenol 13.36
    triacetin 10.45
    span 80 14.81
    1,4-butanediol 35.82
    1,1-dichloroethane 2.1
    2-methyl-1-pentanol 4.49
    methyl formate 115.37
    2-methyl-1-butanol 7.61
    n-decane 0.39
    butyronitrile 6.25
    3,7-dimethyl-1-octanol 2.33
    1-chlorooctane 0.86
    1-chlorotetradecane 0.45
    n-nonane 0.38
    undecane 0.3
    tert-butylcyclohexane 0.31
    cyclooctane 0.33
    cyclopentanol 13.37
    tetrahydropyran 8.41
    tert-amyl methyl ether 4.8
    2,5,8-trioxanonane 26.2
    1-hexene 1.49
    2-isopropoxyethanol 21.5
    2,2,2-trifluoroethanol 87.13
    methyl butyrate 11.19

    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