Allantoin

The Molecular Structure of Allantoin (CAS NO.97-59-6):

Empirical Formula: C₄H₆N₄O₃
Molecular Weight: 158.1154 
IUPAC Name: (2,5-dioxoimidazolidin-4-yl)urea 
Appearance: White Solid
Product Categories: Substrates;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
Nominal Mass: 158 Da
Average Mass: 158.1154 Da
Monoisotopic Mass: 158.04399 Da 
Index of Refraction: 1.615
Molar Refractivity: 33.42 cm³
Molar Volume: 95.7 cm³
Surface Tension: 82.6 dyne/cm
Density: 1.65 g/cm³ 
Melting Point: 239 ºC
log P (octanol-water) -3.140
Water Solubility 5260 mg/L
Vapor Pressure: 4.32E-09 mm Hg at 25ºC
Henry's Law Constant: 3.41E-18 atm-m³/mole at 25ºC
Atmospheric OH Rate Constant: 1.97E-11 cm³/molecule-sec at 25ºC
InChI
InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
Smiles
N1[C@@H](C(NC1=O)=O)NC(N)=O 

 In fish, Allantoin (CAS NO.97-59-6) is broken down further (into AMMONIA) before excretion.Allantoin is a major metabolic intermediate in many other organisms including plants and bacteria. Allantoin (CAS NO.97-59-6) is present in botanical extracts of the comfrey plant and urine from cows and most mammals. Manufacturers cite several beneficial effects for allantoin as an active ingredient in over-the-counter cosmetics: a moisturizing and keratolytic effect, increasing the water content of the extracellular matrix and enhancing the desquamation of upper layers of dead skin cells, increasing the smoothness of the skin; promotion of cell proliferation and wound healing; and a soothing, anti-irritant, and skin protectant effect by forming complexes with irritant and sensitizing agents. It is frequently present in mouthwash, toothpaste,  and other oral hygiene products, in lipsticks,  shampoos, anti-acne products, sun care products, and clarifying lotions, various cosmetic lotions and creams, and other cosmetic and pharmaceutical products.

RTECS  YT1600000
Chemically synthesized bulk allantoin is nature-identical, safe, non-toxic, compatible with cosmetic raw materials and meets CTFA and JSCI requirements. 

Hazard Codes: XnXi
Risk Statements: 22-36/37/38 
R22: Harmful if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25-36-26 
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
S36: Wear suitable protective clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 1
RTECS: YT1600000

 Allantoin  (CAS NO.97-59-6) is also called as MeSH Heading ; (2,5-Dioxo-4-imidazolidinyl)urea ; 5-Ureidohydantoin ; Allantoin [USAN:BAN] ; Glyoxyldiureide ; Urea, (2,5-dioxo-4-imidazolidinyl)- ; (2,5-Dioxo-4-imidazolidinyl)urea ; 5-25-15-00338 (Beilstein Handbook Reference) ; 5-Ureido-2,4-imidazolidindion ; 5-Ureidohydantoin ; AI3-15281 ; AVC/Dienestrolcream ; Alantan ; Allantoin ; Allantol ; BRN 0102364 ; CCRIS 1958 ; Caswell No. 024 ; Cordianine ; Cutemol emollient ; EINECS 202-592-8 ; EPA Pesticide Chemical Code 085701 ; Glyoxyldiureid ; Glyoxyldiureide ; HSDB 7490 ; Hydantoin, 5-ureido- ; Sebical ; UNII-344S277G0Z ; Uniderm AUrea, N-(2,5-dioxo-4-imidazolidinyl)- . It is a diureide of glyoxylic acid. Named after the allantois, an amniote embryonic excretory organ in which it concentrates during development in most mammals except humans and higher apes, it is a product of oxidation of uric acid by purine catabolism. After birth, it is the predominant means by which nitrogenous waste is excreted in the urine of these animals. In humans and higher apes, the metabolic pathway for conversion of uric acid to allantoin is not present, so the former is excreted.