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50-70-4

Basic Information
CAS No.: 50-70-4
Name: D-Glucitol
Molecular Structure:
Molecular Structure of 50-70-4 (D-Glucitol)
Formula: C6H14O6
Molecular Weight: 182.17
Synonyms: Sorbitol syrup C;Sorbitur;Sorbogem 712;Sorbostyl;Sorbitol Powder;Sorbitol (7CI);(-)-Sorbitol;C*Sorbidex;C*Sorbidex P 16616;CSorbidex 16100;Cholaxine;Cystosol;D-Sorbit 50M;Glucarine;Glucitol;Karion;Karioninstant;L-Gulitol;Multitol;NSC 25944;Neosorb;Neosorb 20/60DC;Neosorb 70/02SB;Neosorb 70/70;Neosorb P 60;Nivitin;Resulax;Sionit K;Sionite;Siosan;Sorbex R;Sorbex Rp;Sorbex S;Sorbidex S 16601;Sorbit LTSP;Sorbit T 70;Sorbit W-Powder;Sorbit WP;Sorbitol F;Sorbitol FP;Sorbitol S;
EINECS: 200-061-5
Density: 1.596 g/cm3
Melting Point: 98-100 °C(lit.)
Boiling Point: 494.9 °C at 760 mmHg
Flash Point: 292.5 °C
Solubility: soluble in water
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 8-36-26
Transport Information:
PSA: 121.38000
LogP: -3.58540
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Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

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.

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