Carbamoyliminourea

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  • Identifiers

    CAS number
    123-77-3

    Molecular formula
    C2H4N4O2

    SMILES
    C(=O)(N)N=NC(=O)N

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 70.98%
    Pungent 23.68%
    Savory 22.98%
    Cooked 19.9%
    Sweet 17.5%
    Meaty 16.91%
    Fishy 16.63%
    Burnt 15.67%
    Roasted 15.55%
    Ethereal 15.41%

     

    Flavor
    Odorless 46.15%
    Bitter 37.82%
    Nutty 35.4%
    Cooked 23.34%
    Very mild 22.93%
    Bread crust 21.62%
    Taco 21.48%
    Roasted peanuts 21.03%
    Yeast 20.98%
    Nitrile 20.57%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    7.49 (neutral)

    Molecular weight
    116.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 437 °F (decomposes) (NTP, 1992)
    • 225 °C (decomposes)

    Boiling point

    • Decomposes (NTP, 1992)

    Flash point

    • 129.58 ˚C est.
    • 205 °F (NTP, 1992)
    • 205 °F

    Solubility expt.

    • less than 0.1 mg/mL at 70 °F (NTP, 1992)
    • SLIGHTLY SOL IN ETHER; INSOL IN ORGANIC SOLVENTS
    • Soluble in dimethyl sulfoxide; insoluble in common solvents
    • Very slightly soluble in hot water; insoluble in alcohol
    • In water, 35 mg/liter @ 20 °C
    • Solubility in water: none

  • Synonyms

    • carbamoyliminourea
    • 123-77-3
    • (E)-(carbamoylimino)urea
    • azodicarbonamid
    • NSC674447
    • AZDA
    • (E)-azodicarbonamide
    • SCHEMBL26646
    • CHEMBL3183489
    • 204-650-8
    • AKOS028108416
    • DB-041742
    • NS00008341
    • Q415646
    • Q56607609
    • 380228-24-0

  • Applications

    Carbamoyliminourea, CAS 123-77-3, is primarily used as an intermediate in organic synthesis and polymer chemistry. In industrial manufacturing it is commonly evaluated as a precursor to urethane/urea-containing polymers and resins, enabling network formation in coatings, adhesives, and molded plastics. It can function as a crosslinking or curing agent in coatings and inks, contributing to film hardness and chemical resistance. The compound is also used as a reagent to introduce carbamoyl/urea functionality into specialty chemicals and as a processing aid in polymer and adhesive formulations. In some processes it is considered for electronics-related polymers where precise functionality is required. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.84
    methanol 1.74
    isopropanol 0.49
    water 0.75
    ethyl acetate 0.18
    n-propanol 0.49
    acetone 0.59
    n-butanol 0.36
    acetonitrile 0.34
    DMF 8.81
    toluene 0.08
    isobutanol 0.3
    1,4-dioxane 0.75
    methyl acetate 0.55
    THF 1.17
    2-butanone 0.5
    n-pentanol 0.27
    sec-butanol 0.36
    n-hexane 0.04
    ethylene glycol 1.29
    NMP 5.3
    cyclohexane 0.02
    DMSO 24.34
    n-butyl acetate 0.52
    n-octanol 0.31
    chloroform 0.37
    n-propyl acetate 0.23
    acetic acid 0.64
    dichloromethane 0.69
    cyclohexanone 0.52
    propylene glycol 0.85
    isopropyl acetate 0.12
    DMAc 7.77
    2-ethoxyethanol 1.34
    isopentanol 0.28
    n-heptane 0.04
    ethyl formate 1.28
    1,2-dichloroethane 0.5
    n-hexanol 0.29
    2-methoxyethanol 3.22
    isobutyl acetate 0.12
    tetrachloromethane 0.11
    n-pentyl acetate 0.31
    transcutol 1.4
    n-heptanol 0.26
    ethylbenzene 0.09
    MIBK 0.17
    2-propoxyethanol 1.43
    tert-butanol 0.51
    MTBE 0.27
    2-butoxyethanol 0.99
    propionic acid 0.44
    o-xylene 0.12
    formic acid 2.2
    diethyl ether 0.17
    m-xylene 0.07
    p-xylene 0.14
    chlorobenzene 0.11
    dimethyl carbonate 0.53
    n-octane 0.03
    formamide 2.93
    cyclopentanone 0.91
    2-pentanone 0.24
    anisole 0.31
    cyclopentyl methyl ether 0.24
    gamma-butyrolactone 1.44
    1-methoxy-2-propanol 1.43
    pyridine 0.65
    3-pentanone 0.21
    furfural 3.62
    n-dodecane 0.03
    diethylene glycol 2.2
    diisopropyl ether 0.04
    tert-amyl alcohol 0.46
    acetylacetone 0.34
    n-hexadecane 0.03
    acetophenone 0.41
    methyl propionate 0.36
    isopentyl acetate 0.44
    trichloroethylene 0.48
    n-nonanol 0.3
    cyclohexanol 0.18
    benzyl alcohol 0.4
    2-ethylhexanol 0.2
    isooctanol 0.2
    dipropyl ether 0.25
    1,2-dichlorobenzene 0.18
    ethyl lactate 0.53
    propylene carbonate 0.85
    n-methylformamide 3.21
    2-pentanol 0.15
    n-pentane 0.03
    1-propoxy-2-propanol 1.01
    1-methoxy-2-propyl acetate 0.62
    2-(2-methoxypropoxy) propanol 1.56
    mesitylene 0.06
    ε-caprolactone 0.62
    p-cymene 0.12
    epichlorohydrin 1.39
    1,1,1-trichloroethane 0.15
    2-aminoethanol 1.26
    morpholine-4-carbaldehyde 4.66
    sulfolane 4.8
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.46
    n-hexyl acetate 0.35
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 1.21
    sec-butyl acetate 0.11
    tert-butyl acetate 0.16
    decalin 0.02
    glycerin 1.99
    diglyme 2.83
    acrylic acid 0.57
    isopropyl myristate 0.17
    n-butyric acid 0.41
    acetyl acetate 0.13
    di(2-ethylhexyl) phthalate 0.48
    ethyl propionate 0.22
    nitromethane 1.89
    1,2-diethoxyethane 0.47
    benzonitrile 0.37
    trioctyl phosphate 0.35
    1-bromopropane 0.25
    gamma-valerolactone 2.28
    n-decanol 0.23
    triethyl phosphate 0.6
    4-methyl-2-pentanol 0.1
    propionitrile 0.35
    vinylene carbonate 0.97
    1,1,2-trichlorotrifluoroethane 2.43
    DMS 0.44
    cumene 0.09
    2-octanol 0.19
    2-hexanone 0.29
    octyl acetate 0.26
    limonene 0.14
    1,2-dimethoxyethane 3.47
    ethyl orthosilicate 0.49
    tributyl phosphate 0.4
    diacetone alcohol 0.48
    N,N-dimethylaniline 0.49
    acrylonitrile 0.62
    aniline 0.24
    1,3-propanediol 1.19
    bromobenzene 0.1
    dibromomethane 0.42
    1,1,2,2-tetrachloroethane 0.57
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.8
    diisobutyl methanol 0.15
    2-phenylethanol 0.39
    styrene 0.09
    dioctyl adipate 0.35
    dimethyl sulfate 2.34
    ethyl butyrate 0.34
    methyl lactate 0.95
    butyl lactate 0.67
    diethyl carbonate 0.42
    propanediol butyl ether 1.03
    triethyl orthoformate 0.51
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 0.82
    morpholine 0.99
    tert-butylamine 0.25
    n-dodecanol 0.18
    dimethoxymethane 2.11
    ethylene carbonate 0.65
    cyrene 1.22
    2-ethoxyethyl acetate 0.49
    2-ethylhexyl acetate 0.35
    1,2,4-trichlorobenzene 0.22
    4-methylpyridine 0.66
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.15
    DEF 0.94
    dimethyl isosorbide 2.02
    tetrachloroethylene 0.41
    eugenol 1.02
    triacetin 0.47
    span 80 0.78
    1,4-butanediol 0.64
    1,1-dichloroethane 0.2
    2-methyl-1-pentanol 0.22
    methyl formate 3.09
    2-methyl-1-butanol 0.27
    n-decane 0.04
    butyronitrile 0.33
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.11
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 0.33
    tetrahydropyran 0.26
    tert-amyl methyl ether 0.25
    2,5,8-trioxanonane 2.31
    1-hexene 0.1
    2-isopropoxyethanol 0.6
    2,2,2-trifluoroethanol 0.65
    methyl butyrate 0.45

    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