CAS No.98201-93-5,D-Sorbitol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98201-93-5
Name:	D-Sorbitol

Formula:	C₆H₁₄O₆
Molecular Weight:	182.17
Synonyms:	(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;D-1,2,3,4,5,6-Hexanehexol;(-)-Sorbitol;D-Glucitol;
EINECS:	200-061-5
Density:	1.596 g/cm³
Melting Point:	95-99℃
Boiling Point:	494.9 °C at 760 mmHg
Flash Point:	292.5 °C
Solubility:	SOLUBLE
PSA:	121.38000
LogP:	-3.58540

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Specification

The CAS register number of D-Sorbitol is 98201-93-5. It also can be called as D-1,2,3,4,5,6-Hexanehexol and the IUPAC name about this chemical is (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol.

Physical properties about D-Sorbitol are: (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)Polar Surface Area: 55.38Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 38.89 cm³; (15)Molar Volume: 114.1 cm³; (16)Polarizability: 15.41x10^-24cm³; (17)Surface Tension: 99.8 dyne/cm; (18)Enthalpy of Vaporization: 87.81 kJ/mol; (19)Boiling Point: 494.9 °C at 760 mmHg; (20)Vapour Pressure: 7.22E-12 mmHg at 25°C.

D-Sorbitol is a polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures. It is also used in many manufacturing processes, as a pharmaceutical aid, and in several research applications.

You can still convert the following datas into molecular 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
(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-JGWLITMVSA-N

The toxicity data is as follows:

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.