N-Butylurea

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  • Identifiers

    CAS number
    592-31-4

    Molecular formula
    C5H12N2O

    SMILES
    CCCCNC(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Cheesy 53.46%
    Fishy 53.29%
    Odorless 36.95%
    Ripe 31.74%
    Savory 29.58%
    Meaty 28.38%
    Cooling 26.79%
    Pungent 26.35%
    Animal 22.87%
    Mint 18.85%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.51 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Melting point expt.

    • 205 °F (NTP, 1992)
    • 96 °C

    Flash point est.
    118.5 ˚C

    Solubility expt.

    • 10 to 50 mg/mL at 64 °F (NTP, 1992)
    • VERY SOL IN WATER, ALCOHOL
    • SOL IN ETHER

  • Synonyms

    • N-BUTYLUREA
    • Butylurea
    • 592-31-4
    • 1-Butylurea
    • Urea, butyl-
    • Urea, N-butyl-
    • NCI-C02131
    • HSDB 5497
    • N-n-Butylurea
    • UNII-9CPL5NR15K
    • NSC 2597
    • EINECS 209-748-4
    • MFCD00007956
    • BRN 1744775
    • DTXSID6020222
    • AI3-52319
    • NSC-2597
    • N-BUTYLUREA [HSDB]
    • 9CPL5NR15K
    • DTXCID20222
    • NSC2597
    • 4-04-00-00578 (Beilstein Handbook Reference)
    • CAS-592-31-4
    • n-BUTYL UREA
    • nButylurea
    • butyl urea
    • butyl-urea
    • 1Butylurea
    • Urea, butyl
    • N-Butylurea, 99%
    • WLN: ZVM4
    • SCHEMBL42513
    • CHEMBL3182932
    • SCHEMBL22493264
    • Tox21_202015
    • Tox21_302837
    • AKOS000199394
    • NCGC00249150-01
    • NCGC00256604-01
    • NCGC00259564-01
    • AS-56323
    • SY049645
    • DB-053344
    • B1831
    • NS00022456
    • EN300-20880
    • D88864
    • Q27272364
    • F0001-1554

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.04
    methanol 235.52
    isopropanol 54.4
    water 48.34
    ethyl acetate 12.76
    n-propanol 65.57
    acetone 28.21
    n-butanol 48.61
    acetonitrile 14.1
    DMF 201.82
    toluene 2.24
    isobutanol 37.7
    1,4-dioxane 39.82
    methyl acetate 13.61
    THF 84.53
    2-butanone 14.8
    n-pentanol 30.47
    sec-butanol 34.87
    n-hexane 1.27
    ethylene glycol 132.81
    NMP 147.35
    cyclohexane 1.61
    DMSO 196.41
    n-butyl acetate 15.25
    n-octanol 13.22
    chloroform 12.76
    n-propyl acetate 8.86
    acetic acid 188.58
    dichloromethane 10.82
    cyclohexanone 42.36
    propylene glycol 147.79
    isopropyl acetate 9.7
    DMAc 118.0
    2-ethoxyethanol 53.33
    isopentanol 29.46
    n-heptane 1.22
    ethyl formate 23.06
    1,2-dichloroethane 5.6
    n-hexanol 30.59
    2-methoxyethanol 129.68
    isobutyl acetate 7.56
    tetrachloromethane 3.62
    n-pentyl acetate 11.18
    transcutol 73.24
    n-heptanol 16.17
    ethylbenzene 1.96
    MIBK 10.18
    2-propoxyethanol 68.97
    tert-butanol 41.25
    MTBE 9.6
    2-butoxyethanol 38.41
    propionic acid 92.99
    o-xylene 3.83
    formic acid 152.94
    diethyl ether 6.59
    m-xylene 3.45
    p-xylene 3.25
    chlorobenzene 4.88
    dimethyl carbonate 11.04
    n-octane 0.6
    formamide 90.89
    cyclopentanone 68.77
    2-pentanone 13.21
    anisole 7.3
    cyclopentyl methyl ether 19.48
    gamma-butyrolactone 86.49
    1-methoxy-2-propanol 80.57
    pyridine 21.33
    3-pentanone 8.17
    furfural 81.41
    n-dodecane 0.62
    diethylene glycol 85.43
    diisopropyl ether 2.56
    tert-amyl alcohol 30.69
    acetylacetone 20.98
    n-hexadecane 0.66
    acetophenone 11.7
    methyl propionate 16.36
    isopentyl acetate 13.87
    trichloroethylene 13.28
    n-nonanol 12.14
    cyclohexanol 32.49
    benzyl alcohol 17.16
    2-ethylhexanol 12.63
    isooctanol 11.68
    dipropyl ether 7.14
    1,2-dichlorobenzene 6.25
    ethyl lactate 19.4
    propylene carbonate 45.28
    n-methylformamide 89.38
    2-pentanol 18.77
    n-pentane 1.2
    1-propoxy-2-propanol 41.07
    1-methoxy-2-propyl acetate 21.59
    2-(2-methoxypropoxy) propanol 35.74
    mesitylene 3.01
    ε-caprolactone 43.03
    p-cymene 3.69
    epichlorohydrin 38.67
    1,1,1-trichloroethane 5.27
    2-aminoethanol 152.35
    morpholine-4-carbaldehyde 106.09
    sulfolane 133.16
    2,2,4-trimethylpentane 1.01
    2-methyltetrahydrofuran 34.02
    n-hexyl acetate 15.79
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 45.39
    sec-butyl acetate 6.4
    tert-butyl acetate 11.66
    decalin 1.06
    glycerin 195.42
    diglyme 55.95
    acrylic acid 102.7
    isopropyl myristate 6.89
    n-butyric acid 83.96
    acetyl acetate 13.42
    di(2-ethylhexyl) phthalate 17.46
    ethyl propionate 8.51
    nitromethane 88.25
    1,2-diethoxyethane 12.35
    benzonitrile 14.33
    trioctyl phosphate 12.25
    1-bromopropane 3.42
    gamma-valerolactone 96.22
    n-decanol 8.97
    triethyl phosphate 10.31
    4-methyl-2-pentanol 11.17
    propionitrile 13.45
    vinylene carbonate 42.71
    1,1,2-trichlorotrifluoroethane 77.62
    DMS 15.23
    cumene 2.59
    2-octanol 8.78
    2-hexanone 9.53
    octyl acetate 10.96
    limonene 5.16
    1,2-dimethoxyethane 45.73
    ethyl orthosilicate 8.9
    tributyl phosphate 13.09
    diacetone alcohol 31.46
    N,N-dimethylaniline 8.74
    acrylonitrile 23.27
    aniline 13.09
    1,3-propanediol 117.3
    bromobenzene 3.35
    dibromomethane 6.38
    1,1,2,2-tetrachloroethane 13.88
    2-methyl-cyclohexyl acetate 13.72
    tetrabutyl urea 18.59
    diisobutyl methanol 6.88
    2-phenylethanol 18.62
    styrene 2.2
    dioctyl adipate 15.13
    dimethyl sulfate 28.96
    ethyl butyrate 10.76
    methyl lactate 39.38
    butyl lactate 21.95
    diethyl carbonate 9.15
    propanediol butyl ether 48.31
    triethyl orthoformate 10.67
    p-tert-butyltoluene 3.72
    methyl 4-tert-butylbenzoate 23.68
    morpholine 57.38
    tert-butylamine 16.78
    n-dodecanol 6.71
    dimethoxymethane 37.4
    ethylene carbonate 33.25
    cyrene 42.49
    2-ethoxyethyl acetate 15.58
    2-ethylhexyl acetate 10.17
    1,2,4-trichlorobenzene 8.74
    4-methylpyridine 16.53
    dibutyl ether 5.56
    2,6-dimethyl-4-heptanol 6.88
    DEF 30.58
    dimethyl isosorbide 48.65
    tetrachloroethylene 11.53
    eugenol 29.04
    triacetin 22.42
    span 80 44.95
    1,4-butanediol 53.92
    1,1-dichloroethane 4.93
    2-methyl-1-pentanol 20.93
    methyl formate 51.71
    2-methyl-1-butanol 28.61
    n-decane 0.84
    butyronitrile 17.29
    3,7-dimethyl-1-octanol 10.85
    1-chlorooctane 2.88
    1-chlorotetradecane 1.65
    n-nonane 0.76
    undecane 0.69
    tert-butylcyclohexane 1.06
    cyclooctane 0.68
    cyclopentanol 61.66
    tetrahydropyran 23.82
    tert-amyl methyl ether 9.18
    2,5,8-trioxanonane 53.16
    1-hexene 3.55
    2-isopropoxyethanol 30.26
    2,2,2-trifluoroethanol 56.22
    methyl butyrate 14.02

    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