D-Sorbitol

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

The IUPAC name of Sorbitol is (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol. With the CAS registry number 50-70-4, it is also named as D-Glucitol. The product's categories are Biochemistry; Glucose; Sugar Alcohols; Sugars; Food additives; Dextrins, Sugar & Carbohydrates; Food & Flavor Additives. It is white crystalline powder which is soluble in water, glycerol, propylene glycol, slightly soluble in methanol, ethanol, acetic acid, phenol and acetamide solution. Additionally, Sorbitol should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -4.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.67; (4)ACD/LogD (pH 7.4): -4.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11 ; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 38.89 cm³; (14)Molar Volume: 114.1 cm³; (15)Polarizability: 15.41×10^-24 cm³; (16)Surface Tension: 99.8 dyne/cm; (17)Enthalpy of Vaporization: 87.81 kJ/mol; (18)Vapour Pressure: 7.22E-12 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 182.079038; (21)MonoIsotopic Mass: 182.079038; (22)Topological Polar Surface Area: 121; (23)Heavy Atom Count: 12; (24)Complexity: 105.

Preparation of Sorbitol: Adding 53% glucose solution (previously adjusted ph to 8.2 ~ 8.4) and Ni - Al catalyst containing glucose 0.1% in autoclave. Then reacting after draining the air, and controlling the temperature at 150 °C and the pressure at 3.5MPa.

Uses of Sorbitol: It has many uses, such as follows:
1. It is a sugar substitute often used in diet foods (including diet drinks and ice cream) and sugar-free chewing gum, mints and cough syrups.
2. It can be used as a non-stimulant laxative as either an oral suspension or suppository.
3. It is used in bacterial culture media to distinguish Escherichia coli 0154:H7.
4. It is often used in modern cosmetics as a humectant and thickener. Sorbitol is often used in mouthwash and toothpaste. Some transparent gels can only be made with sorbitol as it has a refractive index sufficiently high for transparent formulations.

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[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO
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-JGWLITMVBN

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	15gm/kg (15000mg/kg)		Proceedings of the Society for Experimental Biology and Medicine. Vol. 35, Pg. 98, 1936.
mouse	LD50	intravenous	9480mg/kg (9480mg/kg)		Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.
mouse	LD50	oral	17800mg/kg (17800mg/kg)		Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.
mouse	LD50	subcutaneous	24gm/kg (24000mg/kg)		Drugs in Japan Vol. -, Pg. 607, 1990.
rat	LD50	intravenous	7100mg/kg (7100mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 498, 1974.
rat	LD50	oral	15900mg/kg (15900mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 498, 1974.
rat	LD50	subcutaneous	29600mg/kg (29600mg/kg)		Drugs in Japan Vol. -, Pg. 607, 1990.
women	TDLo	oral	1700mg/kg/D (1700mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	American Journal of Digestive Diseases. Vol. 23, Pg. 568, 1978.