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Diazolidinyl urea

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Name

Diazolidinyl urea

EINECS 278-928-2
CAS No. 78491-02-8 Density 1.83 g/cm3
PSA 153.88000 LogP -3.34580
Solubility 1000g/L at 20℃ Melting Point N/A
Formula C8H14N4O7 Boiling Point 421.04°C (rough estimate)
Molecular Weight 278.222 Flash Point N/A
Transport Information N/A Appearance white powder
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 78491-02-8 (Diazolidinyl Urea) Hazard Symbols IrritantXi
Synonyms

Germaben II-E;Germall II;Diazolidinylurea;

Article Data 6

Diazolidinyl urea Synthetic route

78491-02-8

diazolidinyl urea

50-00-0

formaldehyd

Conditions
ConditionsYield
In aq. phosphate buffer; water-d2; acetonitrile at 37℃; for 0.5h; pH=7.4; Sealed tube;

Diazolidinyl urea Consensus Reports

Reported in EPA TSCA Inventory.

Diazolidinyl urea Specification

Diazolidinyl urea, with the CAS NO.78491-02-8, is also called N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)-urea; DiszolidinylUrea; germall11; hyl)-; imidazolidinylurea11. Diazolidinyl urea is a fine white powder. Diazolidinyl Urea can be found in many cosmetic and personal care product types including eye and facial makeup, aftershave, and nail, bath, hair and skin care products. It is used in many cosmetics, skin care products, shampoos and conditioners, as well as a wide range of products including bubble baths, baby wipes and household detergents.

Physical properties about Diazolidinyl urea are: (1)ACD/LogP: -5.398; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.40; (4)ACD/LogD (pH 7.4): -5.40; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 11 ; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.703; (13)Molar Refractivity: 58.806 cm3; (14)Molar Volume: 151.69 cm3; (15)Polarizability: 23.313 10-24cm3; (16)Surface Tension: 127.383003234863 dyne/cm; (17)Density: 1.834 g/cm3

Preparation of Diazolidinyl urea: Diazolidinyl urea is produced by the chemical reaction of allantoin and formaldehyde in the presence of sodium hydroxide solution and heat. The reaction mixture is then neutralized with hydrochloric acid and evaporated:

Preparation of Diazolidinyl urea

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18);
(2)InChIKey=SOROIESOUPGGFO-UHFFFAOYSA-N;
(3)SmilesN1([C@@H](N(C(NCO)=O)CO)C(N(CO)C1=O)=O)CO;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral > 2250mg/kg (2250mg/kg)   Journal of Toxicology, Cutaneous and Ocular Toxicology. Vol. 14, Pg. 3, 1995.
mouse LD50 oral 3573mg/kg (3573mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Toxicology, Cutaneous and Ocular Toxicology. Vol. 14, Pg. 3, 1995.
rabbit LD50 skin > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Journal of Toxicology, Cutaneous and Ocular Toxicology. Vol. 14, Pg. 3, 1995.
rat LD50 oral 2600mg/kg (2600mg/kg)   Journal of the American College of Toxicology. Vol. 9(2), Pg. 229, 1990.

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