m-Dimethylaminophenyl urea

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  • Identifiers

    CAS number
    26455-21-0

    Molecular formula
    C9H13N3O

    SMILES
    CN(C)C1=CC=CC(=C1)NC(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 40.68%
    Savory 33.37%
    Cheesy 33.02%
    Meaty 32.93%
    Grape 29.23%
    Ripe 26.93%
    Cooling 26.92%
    Animal 26.41%
    Cooked 24.81%
    Fishy 23.57%

     

    Flavor
    Odorless 36.92%
    Mild 32.81%
    Fruity 26.7%
    Bitter 24.87%
    Roasted 20.76%
    Orange flower 19.9%
    Nitrile 19.37%
    Green pepper 19.23%
    Taco 19.17%
    Bland 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.98 (weak acid)

    Molecular weight
    179.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    418°C

    Flash point

    • 170.76 ˚C est.

  • Synonyms

    • M-DIMETHYLAMINOPHENYL UREA
    • 26455-21-0
    • UNII-29TYH1OKKC
    • 29TYH1OKKC
    • 3-Ureido-1-(dimethylamino)benzene
    • Urea, (m-(dimethylamino)phenyl)-
    • Urea, (3-(dimethylamino)phenyl)-
    • Urea, N-(3-(dimethylamino)phenyl)-
    • Urea, N-[3-(dimethylamino)phenyl]-
    • RefChem:154873
    • M-DIMETHYLAMINOPHENYL UREA [INCI]
    • [3-(dimethylamino)phenyl]urea
    • 1-(3-(dimethylamino)phenyl)urea
    • starbld0020724
    • SCHEMBL33898
    • orb1985661
    • SCHEMBL29356607
    • DTXSID501021733
    • AKOS017529643
    • Q27254442
    • 26455-21-0

  • Applications

    Chemical name: m-Dimethylaminophenyl urea; CAS number: 26455-21-0. In industrial practice, it is typically used as an organic synthesis intermediate to prepare more complex aromatic and heterocyclic compounds, including pharmaceutical and agrochemical precursors; it can serve as a starting material for the production of dyes and pigments; in polymer and coatings applications, it may act as a reactive building block for polyurea/urethane chemistries; it is also employed as a research reagent in R&D for exploring new functional materials; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.73
    methanol 75.31
    isopropanol 9.7
    water 30.28
    ethyl acetate 6.66
    n-propanol 14.4
    acetone 14.23
    n-butanol 8.69
    acetonitrile 4.9
    DMF 113.59
    toluene 0.68
    isobutanol 7.55
    1,4-dioxane 4.19
    methyl acetate 10.63
    THF 20.32
    2-butanone 12.37
    n-pentanol 4.77
    sec-butanol 7.57
    n-hexane 0.23
    ethylene glycol 40.72
    NMP 134.36
    cyclohexane 0.09
    DMSO 130.19
    n-butyl acetate 6.86
    n-octanol 2.07
    chloroform 5.2
    n-propyl acetate 4.5
    acetic acid 59.17
    dichloromethane 4.52
    cyclohexanone 12.22
    propylene glycol 44.31
    isopropyl acetate 3.56
    DMAc 170.54
    2-ethoxyethanol 24.04
    isopentanol 5.84
    n-heptane 0.16
    ethyl formate 12.94
    1,2-dichloroethane 3.0
    n-hexanol 5.0
    2-methoxyethanol 59.63
    isobutyl acetate 2.89
    tetrachloromethane 2.16
    n-pentyl acetate 3.31
    transcutol 35.28
    n-heptanol 2.63
    ethylbenzene 0.53
    MIBK 4.18
    2-propoxyethanol 23.23
    tert-butanol 9.19
    MTBE 3.12
    2-butoxyethanol 10.73
    propionic acid 29.74
    o-xylene 1.05
    formic acid 137.88
    diethyl ether 2.18
    m-xylene 0.86
    p-xylene 0.87
    chlorobenzene 1.57
    dimethyl carbonate 13.83
    n-octane 0.06
    formamide 116.04
    cyclopentanone 28.68
    2-pentanone 6.54
    anisole 2.87
    cyclopentyl methyl ether 5.89
    gamma-butyrolactone 45.71
    1-methoxy-2-propanol 31.02
    pyridine 5.72
    3-pentanone 6.17
    furfural 46.19
    n-dodecane 0.04
    diethylene glycol 37.48
    diisopropyl ether 0.66
    tert-amyl alcohol 9.22
    acetylacetone 10.23
    n-hexadecane 0.05
    acetophenone 6.34
    methyl propionate 13.42
    isopentyl acetate 6.73
    trichloroethylene 8.84
    n-nonanol 1.8
    cyclohexanol 3.86
    benzyl alcohol 5.77
    2-ethylhexanol 2.75
    isooctanol 2.12
    dipropyl ether 1.96
    1,2-dichlorobenzene 2.58
    ethyl lactate 10.4
    propylene carbonate 24.97
    n-methylformamide 73.97
    2-pentanol 3.42
    n-pentane 0.14
    1-propoxy-2-propanol 13.71
    1-methoxy-2-propyl acetate 12.81
    2-(2-methoxypropoxy) propanol 14.78
    mesitylene 0.61
    ε-caprolactone 16.67
    p-cymene 1.12
    epichlorohydrin 23.16
    1,1,1-trichloroethane 3.49
    2-aminoethanol 48.95
    morpholine-4-carbaldehyde 54.53
    sulfolane 89.24
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 9.75
    n-hexyl acetate 4.43
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 14.53
    sec-butyl acetate 2.8
    tert-butyl acetate 4.96
    decalin 0.13
    glycerin 84.26
    diglyme 26.4
    acrylic acid 40.22
    isopropyl myristate 1.35
    n-butyric acid 21.63
    acetyl acetate 5.65
    di(2-ethylhexyl) phthalate 4.68
    ethyl propionate 4.83
    nitromethane 68.43
    1,2-diethoxyethane 3.64
    benzonitrile 3.77
    trioctyl phosphate 2.83
    1-bromopropane 1.21
    gamma-valerolactone 40.89
    n-decanol 1.17
    triethyl phosphate 5.68
    4-methyl-2-pentanol 2.13
    propionitrile 4.59
    vinylene carbonate 22.08
    1,1,2-trichlorotrifluoroethane 64.69
    DMS 8.18
    cumene 0.7
    2-octanol 1.3
    2-hexanone 4.32
    octyl acetate 2.31
    limonene 1.44
    1,2-dimethoxyethane 18.67
    ethyl orthosilicate 4.6
    tributyl phosphate 3.75
    diacetone alcohol 14.68
    N,N-dimethylaniline 3.42
    acrylonitrile 8.66
    aniline 4.27
    1,3-propanediol 34.75
    bromobenzene 0.99
    dibromomethane 2.45
    1,1,2,2-tetrachloroethane 8.52
    2-methyl-cyclohexyl acetate 5.9
    tetrabutyl urea 5.25
    diisobutyl methanol 1.53
    2-phenylethanol 6.21
    styrene 0.53
    dioctyl adipate 3.62
    dimethyl sulfate 44.38
    ethyl butyrate 5.19
    methyl lactate 29.69
    butyl lactate 8.08
    diethyl carbonate 5.05
    propanediol butyl ether 14.77
    triethyl orthoformate 4.82
    p-tert-butyltoluene 1.07
    methyl 4-tert-butylbenzoate 10.29
    morpholine 10.62
    tert-butylamine 2.98
    n-dodecanol 0.77
    dimethoxymethane 20.81
    ethylene carbonate 14.84
    cyrene 23.32
    2-ethoxyethyl acetate 6.96
    2-ethylhexyl acetate 5.21
    1,2,4-trichlorobenzene 4.45
    4-methylpyridine 6.07
    dibutyl ether 0.94
    2,6-dimethyl-4-heptanol 1.53
    DEF 16.62
    dimethyl isosorbide 23.22
    tetrachloroethylene 7.53
    eugenol 11.46
    triacetin 8.59
    span 80 10.08
    1,4-butanediol 13.4
    1,1-dichloroethane 2.34
    2-methyl-1-pentanol 4.59
    methyl formate 45.0
    2-methyl-1-butanol 7.42
    n-decane 0.08
    butyronitrile 3.55
    3,7-dimethyl-1-octanol 2.05
    1-chlorooctane 0.46
    1-chlorotetradecane 0.15
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.16
    cyclooctane 0.05
    cyclopentanol 9.18
    tetrahydropyran 2.79
    tert-amyl methyl ether 3.83
    2,5,8-trioxanonane 18.87
    1-hexene 0.69
    2-isopropoxyethanol 10.77
    2,2,2-trifluoroethanol 44.58
    methyl butyrate 7.07

    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