| Identification | More | [Name]
TERT-BUTYLUREA | [CAS]
1118-12-3 | [Synonyms]
N-TERT-BUTYLUREA
TERT-BUTYLUREA
TERT-BUTYLUREA (MONO)
TIMTEC-BB SBB008606
(1,1-dimethylethyl)-ure
(1,1-dimethylethyl)urea
1,1-Dimethylethylurea
mono-tert-butylurea
N-(1,1-dimethylethyl)urea
N-2-Mefhyl-2-propylurea
tert-butyl-ure
Urea, tert-butyl-
urea,1,1-dimethylethyl-
1-tert-Butylisourea
1-tert-Butylurea | [EINECS(EC#)]
214-257-3 | [Molecular Formula]
C5H12N2O | [MDL Number]
MFCD00025448 | [Molecular Weight]
116.16 | [MOL File]
1118-12-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystals or crystalline powder | [Melting point ]
~185 °C (dec.) | [Boiling point ]
217.23°C (rough estimate) | [density ]
1.0551 (rough estimate) | [refractive index ]
1.4432 (estimate) | [storage temp. ]
Storage temp. 2-8°C | [form ]
Crystals or Crystalline Powder | [pka]
14.37±0.46(Predicted) | [color ]
White | [BRN ]
1744501 | [InChI]
InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8) | [InChIKey]
JLEHSYHLHLHPAL-UHFFFAOYSA-N | [SMILES]
N(C(C)(C)C)C(N)=O | [CAS DataBase Reference]
1118-12-3(CAS DataBase Reference) | [EPA Substance Registry System]
tert-Butylurea (1118-12-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R37:Irritating to the respiratory system.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
2
| [RTECS ]
YS3680000
| [TSCA ]
TSCA listed | [HS Code ]
29241900 |
| Hazard Information | Back Directory | [Chemical Properties]
white crystals or crystalline powder | [Production Methods]
tert-Butylurea is produced by
treating 1 mol urea with 2 mol of tert-butanol in
the presence of 2 mol of concentrated sulfuric
acid at 20–25 ℃ with ice cooling. | [Purification Methods]
Possible impurity is N,N'-di-tert-butyl urea which is quite insoluble in H2O. Recrystallise it from hot H2O, filter off insoluble material, and cool to 0o to -5o with stirring. Dry in vacuum at room temperature over KOH or H2SO4. If dried at higher temperatures, it sublimes slowly. It can be recrystallised from EtOH as long white needles or from 95% aqueous EtOH as plates. During melting point determination the bath temperature has to be raised rapidly as the urea sublimes slowly above 100o at 760mm. [Smith & Emerson Org Synth Coll Vol III 151 1955, Beilstein 4 IV 665.] |
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China Langchem Inc.
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