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| CAS No.: | 116-25-6 |
|---|---|
| Name: | 1-Hydroxymethyl-5,5-dimethylhydantoin |
| Molecular Structure: | |
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| Formula: | C6H10N2O3 |
| Molecular Weight: | 158.157 |
| Synonyms: | Hydantoin,1-(hydroxymethyl)-5,5-dimethyl- (6CI,7CI,8CI);1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione;1-(Hydroxymethyl)-5,5-dimethylhydantoin;1-Methylol-5,5-dimethylhydantoin;Dantoin MDMH;MDM Hydantoin;N-Methylol 5,5-dimethyl hydantoin;NSC 9185; |
| EINECS: | 204-132-1 |
| Density: | 1.257 g/cm3 |
| Melting Point: | 104-106 °C |
| Solubility: | Freely soluble in water. |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | R36/37/38 |
| PSA: | 69.64000 |
| LogP: | -0.46670 |
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Specification
The 1-Hydroxymethyl-5,5-dimethylhydantoin is an organic compound with the formula C6H10N2O3. The IUPAC name of this product is 1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione. With the CAS registry number 116-25-6, it is also named as 2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-; Monomethylol dimethyl hydantoin. It is crystals which is freely soluble in water, methanol, ethanol, acetone, slightly soluble in ethyl acetate, and practically insoluble in ether, trichloroethylene, carbon tetrachloride. This chemical is sensitive to moisture. It is used as biocide in shampoo, hair conditioner and cosmetics. Because the compound liberates formaldehyde steadily at a very slow rate in the presence of water at pH 6.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.92; (2)ACD/LogD (pH 5.5): -0.92; (3)ACD/LogD (pH 7.4): -0.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.5; (7)ACD/KOC (pH 7.4): 6.54; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 36.56 cm3; (13)Molar Volume: 125.7 cm3; (14)Polarizability: 14.49×10-24 cm3; (15)Surface Tension: 41.3 dyne/cm; (16)Rotatable Bond Count: 1; (17)Tautomer Count: 3; (18)Exact Mass: 158.069142; (19)MonoIsotopic Mass: 158.069142; (20)Topological Polar Surface Area: 69.6; (21)Heavy Atom Count: 11.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C1NC(=O)N(CO)C1(C)C;
2. InChI: InChI=1/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11).