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Basic Information
CAS No.: 6851-81-6
Name: 1,5,5-Trimethylhydantoin
Article Data: 4
Molecular Structure:
Molecular Structure of 6851-81-6 (1,5,5-Trimethylhydantoin)
Formula: C6H10 N2 O2
Molecular Weight: 142.158
Synonyms: Hydantoin,1,5,5-trimethyl- (6CI,7CI,8CI); 1,5,5-Trimethylhydantoin;1,5,5-Trimethylimidazolidine-2,4-dione; 3,4,4-Trimethyl-2,5-dioxoimidazolidine
EINECS: 229-945-9
Density: 1.117 g/cm3
Melting Point: 161 - 164 ºC
Boiling Point: 259.72°C (rough estimate)
Solubility: soluble in Water
Appearance: white to off-white crystalline powder.
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: 26-36
PSA: 49.41000
LogP: 0.21330
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  • 1,5,5-Trimethylimidazolidine-2,4-dione

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    1,5,5-Trimethylimidazolidine-2,4-dione

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Chemistry


IUPAC Name: 1,5,5-Trimethylimidazolidine-2,4-dione
Canonical SMILES: CC1(C(=O)NC(=O)N1C)C
InChI: InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
Molecular Weight: 142.1558 g/mol
Molecular Formula: C6H10N2O2
XLogP3-AA: -0.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Tautomer Count: 3
Exact Mass: 142.074228
MonoIsotopic Mass: 142.074228
Topological Polar Surface Area: 49.4
Heavy Atom Count: 10
Complexity: 198
EINECS: 229-945-9
Appearance: white to off-white crystalline powder
Melting Point: 161-164 °C(lit.)
Index of Refraction: 1.463
Molar Refractivity: 35.04 cm3
Molar Volume: 127.2 cm3
Surface Tension: 31.7 dyne/cm
Density: 1.117 g/cm3
Product Categories of 1,5,5-Trimethylhydantoin (CAS NO.6851-81-6): Miscellaneous; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazolines / Imidazolidines

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-20/21/22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany of 1,5,5-Trimethylhydantoin (CAS NO.6851-81-6): 3

Specification

 1,5,5-Trimethylhydantoin (CAS NO.6851-81-6), its Synonyms are 1,5,5-Trimethylimidazolidine-2,4-dione ; 2,4-Imidazolidinedione, 1,5,5-trimethyl- ; Hydantoin, 1,5,5-trimethyl- .