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| CAS No.: | 78491-02-8 |
|---|---|
| Name: | Diazolidinyl Urea |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H14N4O7 |
| Molecular Weight: | 278.222 |
| Synonyms: | Germaben II-E;Germall II;Diazolidinylurea; |
| EINECS: | 278-928-2 |
| Density: | 1.83 g/cm3 |
| Boiling Point: | 421.04°C (rough estimate) |
| Solubility: | 1000g/L at 20℃ |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 153.88000 |
| LogP: | -3.34580 |
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- 78491-02-8
diazolidinyl urea
- 50-00-0
formaldehyd
| Conditions | Yield |
|---|---|
| In aq. phosphate buffer; water-d2; acetonitrile at 37℃; for 0.5h; pH=7.4; Sealed tube; |
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Consensus Reports
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:
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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. |