N,N'-Dimethylurea

Overview IFRA Request a quote

  • Identifiers

    CAS number
    96-31-1

    Molecular formula
    C3H8N2O

    SMILES
    CNC(=O)NC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.53%
    Cheesy 45.6%
    Fishy 42.18%
    Ripe 29.57%
    Savory 28.83%
    Meaty 27.98%
    Sulfurous 25.95%
    Pungent 24.86%
    Cooked 18.98%
    Roasted 16.8%

     

    Flavor
    Odorless 40.03%
    Pungent 24.42%
    Acidic 23.28%
    Cheese 22.92%
    Sour 22.07%
    Cooked 21.92%
    Sulfurous 21.64%
    Soy 21.29%
    Roquefort cheese 21.17%
    Sulfury 21.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    6.96 (neutral)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 226 °F (NTP, 1992)
    • 108 °C
    • 108.00 °C. @ 760.00 mm Hg
    • 102-107 °C

    Boiling point

    • 514 to 518 °F at 760 mmHg (NTP, 1992)
    • 268-270 °C
    • 269.00 °C. @ 760.00 mm Hg

    Flash point

    • 105.61 ˚C est.
    • 154 °C

    Solubility expt.

    • greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
    • VERY SOL IN WATER & ALCOHOL
    • INSOL IN ETHER
    • Solubility in water, g/100ml at 21.5 °C: 76.5 (good)

  • Synonyms

    • 1,3-DIMETHYLUREA
    • N,N'-Dimethylurea
    • 96-31-1
    • sym-Dimethylurea
    • Urea, N,N'-dimethyl-
    • Symmetric dimethylurea
    • Urea, 1,3-dimethyl-
    • N,N'-Dimethylharnstoff
    • WAM6DR9I4X
    • DTXSID5025156
    • NSC-14910
    • DTXCID605156
    • CHEBI:80472
    • RefChem:72748
    • 202-498-7
    • Dimethylurea
    • 1,3-Dimethyl urea
    • MFCD00008286
    • dimethyl urea
    • N,N'-Dimethylharnstoff [German]
    • NSC 14910
    • BRN 1740672
    • AI3-24386
    • DMU
    • Urea,3-dimethyl-
    • Urea,N'-dimethyl-
    • 1,3-Dimethylurea, 98%
    • WLN: 1MVM1
    • CCRIS 2509
    • HSDB 3423
    • EINECS 202-498-7
    • UNII-WAM6DR9I4X
    • Dimethylharnstoff
    • 1.3-Dimethylurea
    • N,N-Dimethyl-Urea
    • 1,3 dimethyl urea
    • N,N'-dimethyl urea
    • N,N\'-dimethylurea
    • 1,1'-Dimethylurea
    • 1,3-Dimethylcarbamide
    • 3k3g
    • bmse000248
    • EC 202-498-7
    • UREA,1,3-DIMETHYL
    • (CH3NH)2CO
    • SCHEMBL10042
    • SCHEMBL42058
    • N,N'-Dimethylurea, ~98%
    • SCHEMBL303777
    • SCHEMBL4993824
    • CHEMBL1234380
    • SCHEMBL10838088
    • SCHEMBL10838094
    • SCHEMBL15157912
    • 1,3-DIMETHYLUREA [HSDB]
    • BB_SC-07191
    • NSC14910
    • NSC24823
    • Tox21_200794
    • BBL011513
    • NSC-24823
    • STL146629
    • AKOS000120912
    • CS-W013749
    • PB47928
    • CAS-96-31-1
    • NCGC00248834-01
    • NCGC00258348-01
    • SY004507
    • DB-225923
    • N,N inverted exclamation marka-Dimethylurea
    • A4569
    • D0289
    • NS00005754
    • EN300-20740
    • P17517
    • ethyl 5-oxo-2,3-diphenyl-cyclopentanecarboxylate
    • F358273
    • N,N'-Dimethylurea, (sym.), >=99% (from N)
    • Q419740
    • N,N'-Dimethylurea, PESTANAL(R), analytical standard
    • F0001-2292
    • N,N'-Dimethylurea, (sym.), >=95.0% (HPLC), technical
    • InChI=1/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6
    • 96-31-1

  • Applications

    N,N'-Dimethylurea (CAS 96-31-1) is commonly used as a high-purity solvent and reaction medium in organic synthesis within industrial manufacturing; it also serves as an intermediate precursor for urethane and other urea-derived polymers and chemicals; it can function as a processing aid, co-solvent, or solvent component in coatings, inks, and adhesive formulations; in cleaning and specialty formulations, it is used as a solvent constituent; and in pharmaceutical chemistry, it is used as an intermediate for the synthesis of active ingredients or intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 757.14
    methanol 1542.41
    isopropanol 499.38
    water 1248.31
    ethyl acetate 58.55
    n-propanol 480.39
    acetone 234.87
    n-butanol 352.93
    acetonitrile 243.24
    DMF 610.85
    toluene 26.21
    isobutanol 340.7
    1,4-dioxane 150.98
    methyl acetate 120.31
    THF 295.11
    2-butanone 167.67
    n-pentanol 213.71
    sec-butanol 378.96
    n-hexane 16.77
    ethylene glycol 314.1
    NMP 488.06
    cyclohexane 12.75
    DMSO 521.64
    n-butyl acetate 28.9
    n-octanol 38.69
    chloroform 262.71
    n-propyl acetate 36.34
    acetic acid 861.03
    dichloromethane 289.94
    cyclohexanone 153.4
    propylene glycol 291.46
    isopropyl acetate 32.64
    DMAc 429.45
    2-ethoxyethanol 267.47
    isopentanol 209.5
    n-heptane 6.86
    ethyl formate 163.92
    1,2-dichloroethane 151.64
    n-hexanol 78.85
    2-methoxyethanol 550.56
    isobutyl acetate 20.84
    tetrachloromethane 76.88
    n-pentyl acetate 39.27
    transcutol 136.63
    n-heptanol 52.29
    ethylbenzene 12.5
    MIBK 43.27
    2-propoxyethanol 119.97
    tert-butanol 373.72
    MTBE 134.25
    2-butoxyethanol 99.67
    propionic acid 305.16
    o-xylene 22.62
    formic acid 1220.61
    diethyl ether 105.91
    m-xylene 15.63
    p-xylene 23.13
    chlorobenzene 46.71
    dimethyl carbonate 29.6
    n-octane 3.8
    formamide 1082.41
    cyclopentanone 260.68
    2-pentanone 100.11
    anisole 36.22
    cyclopentyl methyl ether 86.98
    gamma-butyrolactone 271.03
    1-methoxy-2-propanol 263.34
    pyridine 169.0
    3-pentanone 70.75
    furfural 279.99
    n-dodecane 2.44
    diethylene glycol 116.21
    diisopropyl ether 17.82
    tert-amyl alcohol 320.77
    acetylacetone 54.87
    n-hexadecane 2.5
    acetophenone 39.5
    methyl propionate 69.15
    isopentyl acetate 27.43
    trichloroethylene 216.95
    n-nonanol 32.47
    cyclohexanol 153.35
    benzyl alcohol 75.98
    2-ethylhexanol 32.63
    isooctanol 38.21
    dipropyl ether 26.14
    1,2-dichlorobenzene 38.02
    ethyl lactate 30.3
    propylene carbonate 101.99
    n-methylformamide 590.15
    2-pentanol 164.68
    n-pentane 23.72
    1-propoxy-2-propanol 67.44
    1-methoxy-2-propyl acetate 25.51
    2-(2-methoxypropoxy) propanol 45.55
    mesitylene 9.51
    ε-caprolactone 117.37
    p-cymene 9.93
    epichlorohydrin 259.9
    1,1,1-trichloroethane 101.92
    2-aminoethanol 551.57
    morpholine-4-carbaldehyde 223.81
    sulfolane 288.86
    2,2,4-trimethylpentane 11.44
    2-methyltetrahydrofuran 218.16
    n-hexyl acetate 40.39
    isooctane 4.7
    2-(2-butoxyethoxy)ethanol 65.1
    sec-butyl acetate 21.05
    tert-butyl acetate 31.44
    decalin 5.1
    glycerin 312.75
    diglyme 112.22
    acrylic acid 295.99
    isopropyl myristate 12.33
    n-butyric acid 275.94
    acetyl acetate 30.77
    di(2-ethylhexyl) phthalate 23.89
    ethyl propionate 27.75
    nitromethane 573.94
    1,2-diethoxyethane 42.05
    benzonitrile 72.04
    trioctyl phosphate 17.05
    1-bromopropane 104.77
    gamma-valerolactone 263.0
    n-decanol 21.3
    triethyl phosphate 16.04
    4-methyl-2-pentanol 58.66
    propionitrile 166.95
    vinylene carbonate 95.8
    1,1,2-trichlorotrifluoroethane 215.48
    DMS 24.31
    cumene 11.08
    2-octanol 35.58
    2-hexanone 55.73
    octyl acetate 20.05
    limonene 15.89
    1,2-dimethoxyethane 198.73
    ethyl orthosilicate 16.69
    tributyl phosphate 18.24
    diacetone alcohol 73.41
    N,N-dimethylaniline 33.22
    acrylonitrile 203.71
    aniline 96.97
    1,3-propanediol 487.94
    bromobenzene 31.35
    dibromomethane 176.98
    1,1,2,2-tetrachloroethane 177.24
    2-methyl-cyclohexyl acetate 20.9
    tetrabutyl urea 25.46
    diisobutyl methanol 16.69
    2-phenylethanol 41.42
    styrene 17.58
    dioctyl adipate 19.97
    dimethyl sulfate 59.57
    ethyl butyrate 21.51
    methyl lactate 62.56
    butyl lactate 39.73
    diethyl carbonate 14.98
    propanediol butyl ether 80.26
    triethyl orthoformate 19.97
    p-tert-butyltoluene 9.54
    methyl 4-tert-butylbenzoate 42.14
    morpholine 266.96
    tert-butylamine 209.68
    n-dodecanol 14.77
    dimethoxymethane 154.82
    ethylene carbonate 73.48
    cyrene 64.7
    2-ethoxyethyl acetate 44.48
    2-ethylhexyl acetate 20.66
    1,2,4-trichlorobenzene 49.09
    4-methylpyridine 147.65
    dibutyl ether 23.24
    2,6-dimethyl-4-heptanol 16.69
    DEF 145.5
    dimethyl isosorbide 57.81
    tetrachloroethylene 153.99
    eugenol 48.91
    triacetin 32.92
    span 80 47.9
    1,4-butanediol 228.89
    1,1-dichloroethane 153.94
    2-methyl-1-pentanol 135.5
    methyl formate 308.41
    2-methyl-1-butanol 252.52
    n-decane 4.32
    butyronitrile 175.82
    3,7-dimethyl-1-octanol 28.43
    1-chlorooctane 14.76
    1-chlorotetradecane 5.55
    n-nonane 4.46
    undecane 3.05
    tert-butylcyclohexane 5.85
    cyclooctane 3.78
    cyclopentanol 271.37
    tetrahydropyran 145.21
    tert-amyl methyl ether 95.5
    2,5,8-trioxanonane 68.01
    1-hexene 43.76
    2-isopropoxyethanol 124.36
    2,2,2-trifluoroethanol 321.36
    methyl butyrate 55.96

    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