D-Mannitol

NTP Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-236 ,1982. . Reported in EPA TSCA Inventory.

The D-Mannitol is an organic compound with the formula C₆H₁₄O₆. The systematic name of this chemical is D-mannitol. With the CAS registry number 69-65-8, it is also named as (2R,3R,4R,5R)-1,2,3,4,5,6-Hexanehexol. The product's categories are Substrates; Miscellaneous Natural Products; 13C & 2H Sugars; Biochemistry; Sugar Alcohols; Sugars; Dextrins, Sugar & Carbohydrates; Carbohydrates & Derivatives; Food & Flavor Additives. Besides, it is a white crystalline powder, which should be stored in a cool place.

The D-Mannitol is medically used as a dehydrating agent and diuretic drugs. It is used as analytical reagents and used in the synthesis of resins and synthetic drugs. It is also used as low calorie low-sweetness sweeteners, nutritional supplements, quality improver, anti-seize compound, insulation agent.

Physical properties about D-Mannitol are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 11; (9)Polar Surface Area: 121.38 Å²; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 38.89 cm³; (12)Molar Volume: 114.118 cm³; (13)Polarizability: 15.417×10^-24cm³; (14)Surface Tension: 99.896 dyne/cm; (15)Density: 1.596 g/cm³; (16)Flash Point: 292.497 °C; (17)Enthalpy of Vaporization: 87.805 kJ/mol; (18)Boiling Point: 494.865 °C at 760 mmHg.

Preparation: first, sucrose hydrolysis glucose and fructose, then they restore the generation sorbitol and mannitol, D-Mannitol is produced by bleaching, isolated and purified.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
(2)InChI: InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
(3)InChIKey: FBPFZTCFMRRESA-KVTDHHQDBH
(4)Std. InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
(5)Std. InChIKey: FBPFZTCFMRRESA-KVTDHHQDSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	intravenous	17143mg/kg/2D (17143mg/kg)	VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION GASTROINTESTINAL: NAUSEA OR VOMITING KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	Archives of Internal Medicine. Vol. 144, Pg. 2053, 1984.
mouse	LD50	intraperitoneal	14gm/kg (14000mg/kg)		Proceedings of the Society for Experimental Biology and Medicine. Vol. 35, Pg. 98, 1936.
mouse	LD50	intravenous	7470mg/kg (7470mg/kg)		Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.
mouse	LD50	oral	22gm/kg (22000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE	FAO Nutrition Meetings Report Series. Vol. 40, Pg. 160, 1967.
rat	LD50	intravenous	9690mg/kg (9690mg/kg)		Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.
rat	LD50	oral	13500mg/kg (13500mg/kg)		Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.