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1-Hydroxymethyl-5,5-dimethylhydantoin

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Name

1-Hydroxymethyl-5,5-dimethylhydantoin

EINECS 204-132-1
CAS No. 116-25-6 Density 1.257 g/cm3
PSA 69.64000 LogP -0.46670
Solubility Freely soluble in water. Melting Point 104-106 °C
Formula C6H10N2O3 Boiling Point N/A
Molecular Weight 158.157 Flash Point N/A
Transport Information N/A Appearance white to off-white crystalline powder
Safety Risk Codes R36/37/38
Molecular Structure Molecular Structure of 116-25-6 (1-Hydroxymethyl-5,5-dimethylhydantoin) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
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;

 

1-Hydroxymethyl-5,5-dimethylhydantoin 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).

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