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87-78-5

Basic Information
CAS No.: 87-78-5
Name: Mannitol
Article Data: 30
Molecular Structure:
Molecular Structure of 87-78-5 (Mannitol)
Formula: C6H14O6
Molecular Weight: 182.174
Synonyms: Mannidex 16700;Hexahydroxyhexane;hexane-1,2,3,4,5,6-hexol;
EINECS: 201-770-2
Density: 1.596 g/cm3
Melting Point: 166-168oC
Boiling Point: 494.9 °C at 760 mmHg
Flash Point: 292.5 °C
Solubility: soluble
Appearance: White fine powder
PSA: 121.38000
LogP: -3.58540
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Specification

1. Introduction of Mannitol

Mannitol , with CAS number of 87-78-5, can be called Hexahydroxyhexane; DL-Mannitol; (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol; hexane-1,2,3,4,5,6-hexol. Mannitol is analytics reagents, also used for resin and drug synthesis.

2. Properties of Mannitol

Mannitol has the following datas: (1)H bond acceptors: 6; (2)H bond donors: 6; (3)Freely Rotating Bonds: 11; (4)Polar Surface Area: 55.38 ?2; (5)Index of Refraction: 1.597; (6)Molar Refractivity: 38.89 cm3; (7)Molar Volume: 114.1 cm3; (8)Surface Tension: 99.8 dyne/cm; (9)Density: 1.596 g/cm3; (10)Flash Point: 292.5 °C; (11)Enthalpy of Vaporization: 87.81 kJ/mol; (12)Boiling Point: 494.9 °C at 760 mmHg; (13)Vapour Pressure: 7.22E-12 mmHg at 25°C.

3. Structure Descriptors of Mannitol

You could convert the following datas into the molecular structure:
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
Smiles
OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

4. Toxicity of Mannitol

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo intravenous 5714mg/kg (5714mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: NAUSEA OR VOMITING

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Nephron. Vol. 45, Pg. 233, 1987.
rat LD50 intravenous 25800uL/kg (25.8mL/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.

5. Use of Mannitol

Mannitol (CAS NO.87-78-5) is used for dehydrant and diuretics. It is used as the analytical reagent, and it is also used in the resin and the drugs synthesis.