N,N'-Diethylcarbanilide

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  • Identifiers

    CAS number
    85-98-3

    Molecular formula
    C17H20N2O

    SMILES
    CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 42.9%
    Fruity 40.38%
    Grape 39.37%
    Fresh 35.45%
    Citrus 35.42%
    Grapefruit 35.15%
    Sweet 29.18%
    Animal 26.96%
    Woody 26.57%
    Cooling 25.56%

     

    Flavor
    Bitter 46.84%
    Odorless 27.07%
    Fruity 25.6%
    Mild 22.6%
    Nitrile 19.17%
    Heather 18.69%
    Broom 18.6%
    Orange flower 18.45%
    Green pepper 18.42%
    Genet 18.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.33 (neutral)

    Molecular weight
    268.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 174 °F (NTP, 1992)

    Boiling point

    • 617 to 626 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 176.47 ˚C est.
    • 302 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 70.7 °F (NTP, 1992)

  • Synonyms

    • 1,3-Diethyl-1,3-diphenylurea
    • 85-98-3
    • Centralite
    • N,N'-Diethylcarbanilide
    • Ethyl centralite
    • Centralite I
    • N,N'-Diethyl-N,N'-diphenylurea
    • Carbamite
    • sym-Diethyldiphenylurea
    • s-Diethyldiphenylurea
    • Centralite-1
    • N,N-Diethylcarbanilide
    • 1,3-Diethyldiphenylurea
    • Bis(N-ethyl-N-phenyl)urea
    • Centralite 1
    • Urea, N,N'-diethyl-N,N'-diphenyl-
    • USAF EK-1047
    • Carbanilide, N,N'-diethyl-
    • Urea, 1,3-diethyl-1,3-diphenyl-
    • NSC 44038
    • CCRIS 4618
    • Bis-(N-ethyl-N-fenyl)mocovina
    • 1,3-Diethyl-1,3-difenylmocovina
    • EINECS 201-645-2
    • Bis-(N-ethyl-N-fenyl)mocovina [Czech]
    • BRN 2751977
    • 4169Z9SDJG
    • DTXSID8025040
    • 1,3-Diethyl-1,3-difenylmocovina [Czech]
    • AI3-01942
    • MFCD00035794
    • NSC-28779
    • NSC-44038
    • Centralite1
    • DTXCID705040
    • EC 201-645-2
    • N,N'-DIETHYLCARBANILIDE [MI]
    • Carbanilide,N'-diethyl-
    • WLN: 2NR&VN2&R
    • Urea,3-diethyl-1,3-diphenyl-
    • Urea,N'-diethyl-N,N'-diphenyl-
    • UNII-4169Z9SDJG
    • Diethylcarbanilide
    • diethyldiphenylurea
    • 1,3-diethyl-1,3-diphenyl-urea
    • 1,3-Diethylcarbanilide
    • MLS002415749
    • SCHEMBL263716
    • CHEMBL1566472
    • PZIMIYVOZBTARW-UHFFFAOYSA-
    • N,N'-Diphenyl-N,N'-diethylurea
    • HMS3039F11
    • 1,3-diethyl-1,3-di(phenyl)urea
    • NSC28779
    • NSC44038
    • Tox21_200369
    • AKOS015913312
    • CS-W010105
    • 1,3-Diethyl-1,3-diphenylurea, 99%
    • CAS-85-98-3
    • NCGC00091392-01
    • NCGC00091392-02
    • NCGC00257923-01
    • AS-59399
    • SMR001370912
    • DB-056891
    • D0485
    • NS00007782
    • D70352
    • Q5062193
    • InChI=1/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3

  • Applications

    N,N'-Diethylcarbanilide (CAS 85-98-3) is regarded as a key synthetic building block in organic chemistry, serving as an intermediate to access diarylurea derivatives. In industrial manufacturing, it is commonly evaluated as a precursor for specialty polymers and coatings formulations, and as a starting point for dye and pigment chemistry research. In the chemical research space, it is also used as a synthesis intermediate for compound libraries in pharmaceutical development and for agrochemical investigations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.0
    methanol 160.23
    isopropanol 110.95
    water 0.76
    ethyl acetate 470.97
    n-propanol 167.54
    acetone 742.51
    n-butanol 149.26
    acetonitrile 473.4
    DMF 1323.75
    toluene 318.46
    isobutanol 130.99
    1,4-dioxane 642.85
    methyl acetate 501.28
    THF 916.24
    2-butanone 650.84
    n-pentanol 114.18
    sec-butanol 128.87
    n-hexane 28.68
    ethylene glycol 26.31
    NMP 1371.29
    cyclohexane 79.95
    DMSO 536.54
    n-butyl acetate 301.1
    n-octanol 64.57
    chloroform 3491.72
    n-propyl acetate 278.09
    acetic acid 361.56
    dichloromethane 3593.68
    cyclohexanone 1272.27
    propylene glycol 35.54
    isopropyl acetate 232.54
    DMAc 1013.94
    2-ethoxyethanol 151.62
    isopentanol 113.99
    n-heptane 15.02
    ethyl formate 443.59
    1,2-dichloroethane 2022.24
    n-hexanol 97.85
    2-methoxyethanol 267.31
    isobutyl acetate 159.51
    tetrachloromethane 275.45
    n-pentyl acetate 215.95
    transcutol 181.1
    n-heptanol 65.49
    ethylbenzene 139.98
    MIBK 180.45
    2-propoxyethanol 175.94
    tert-butanol 93.3
    MTBE 133.91
    2-butoxyethanol 125.36
    propionic acid 307.52
    o-xylene 151.02
    formic acid 105.43
    diethyl ether 240.01
    m-xylene 131.93
    p-xylene 197.32
    chlorobenzene 843.31
    dimethyl carbonate 293.81
    n-octane 10.44
    formamide 268.81
    cyclopentanone 1485.25
    2-pentanone 438.42
    anisole 250.17
    cyclopentyl methyl ether 355.05
    gamma-butyrolactone 1529.97
    1-methoxy-2-propanol 170.97
    pyridine 1295.31
    3-pentanone 471.56
    furfural 1121.62
    n-dodecane 9.1
    diethylene glycol 98.86
    diisopropyl ether 54.31
    tert-amyl alcohol 103.76
    acetylacetone 515.01
    n-hexadecane 10.92
    acetophenone 312.01
    methyl propionate 458.22
    isopentyl acetate 226.45
    trichloroethylene 3909.7
    n-nonanol 60.0
    cyclohexanol 226.91
    benzyl alcohol 200.54
    2-ethylhexanol 76.91
    isooctanol 54.26
    dipropyl ether 105.93
    1,2-dichlorobenzene 709.78
    ethyl lactate 107.77
    propylene carbonate 759.47
    n-methylformamide 563.14
    2-pentanol 88.62
    n-pentane 21.78
    1-propoxy-2-propanol 119.26
    1-methoxy-2-propyl acetate 221.13
    2-(2-methoxypropoxy) propanol 93.2
    mesitylene 73.25
    ε-caprolactone 800.83
    p-cymene 63.89
    epichlorohydrin 1551.11
    1,1,1-trichloroethane 1139.49
    2-aminoethanol 67.22
    morpholine-4-carbaldehyde 731.26
    sulfolane 1273.16
    2,2,4-trimethylpentane 11.78
    2-methyltetrahydrofuran 590.62
    n-hexyl acetate 230.6
    isooctane 6.64
    2-(2-butoxyethoxy)ethanol 114.36
    sec-butyl acetate 157.55
    tert-butyl acetate 178.69
    decalin 30.2
    glycerin 54.79
    diglyme 290.39
    acrylic acid 343.12
    isopropyl myristate 74.46
    n-butyric acid 389.14
    acetyl acetate 344.47
    di(2-ethylhexyl) phthalate 86.0
    ethyl propionate 262.82
    nitromethane 887.13
    1,2-diethoxyethane 159.48
    benzonitrile 423.73
    trioctyl phosphate 59.5
    1-bromopropane 661.17
    gamma-valerolactone 1252.25
    n-decanol 43.87
    triethyl phosphate 114.32
    4-methyl-2-pentanol 46.25
    propionitrile 402.98
    vinylene carbonate 760.07
    1,1,2-trichlorotrifluoroethane 656.19
    DMS 282.35
    cumene 75.7
    2-octanol 53.71
    2-hexanone 275.49
    octyl acetate 104.94
    limonene 89.29
    1,2-dimethoxyethane 389.25
    ethyl orthosilicate 96.76
    tributyl phosphate 77.45
    diacetone alcohol 152.58
    N,N-dimethylaniline 148.86
    acrylonitrile 592.41
    aniline 329.03
    1,3-propanediol 113.78
    bromobenzene 962.04
    dibromomethane 1971.58
    1,1,2,2-tetrachloroethane 2385.69
    2-methyl-cyclohexyl acetate 150.77
    tetrabutyl urea 112.3
    diisobutyl methanol 41.43
    2-phenylethanol 164.39
    styrene 221.59
    dioctyl adipate 123.47
    dimethyl sulfate 452.09
    ethyl butyrate 218.42
    methyl lactate 162.09
    butyl lactate 129.95
    diethyl carbonate 175.33
    propanediol butyl ether 75.47
    triethyl orthoformate 139.2
    p-tert-butyltoluene 56.72
    methyl 4-tert-butylbenzoate 174.29
    morpholine 652.72
    tert-butylamine 63.53
    n-dodecanol 34.25
    dimethoxymethane 482.29
    ethylene carbonate 628.22
    cyrene 172.93
    2-ethoxyethyl acetate 234.4
    2-ethylhexyl acetate 196.23
    1,2,4-trichlorobenzene 766.9
    4-methylpyridine 959.62
    dibutyl ether 101.28
    2,6-dimethyl-4-heptanol 41.43
    DEF 602.35
    dimethyl isosorbide 224.2
    tetrachloroethylene 1465.56
    eugenol 158.65
    triacetin 187.68
    span 80 95.94
    1,4-butanediol 51.37
    1,1-dichloroethane 1359.12
    2-methyl-1-pentanol 104.07
    methyl formate 493.23
    2-methyl-1-butanol 132.06
    n-decane 14.71
    butyronitrile 367.1
    3,7-dimethyl-1-octanol 54.24
    1-chlorooctane 76.57
    1-chlorotetradecane 31.08
    n-nonane 13.72
    undecane 11.18
    tert-butylcyclohexane 19.57
    cyclooctane 17.49
    cyclopentanol 302.27
    tetrahydropyran 674.32
    tert-amyl methyl ether 119.43
    2,5,8-trioxanonane 170.39
    1-hexene 112.99
    2-isopropoxyethanol 103.98
    2,2,2-trifluoroethanol 207.44
    methyl butyrate 398.0

    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