CAS No.13224-94-7,3-O-METHYL-ALPHA-D-GLUCOPYRANOSE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13224-94-7
Name:	3-O-METHYL-ALPHA-D-GLUCOPYRANOSE
Article Data:	11
Cas Database

Formula:	C₇H₁₄O₆
Molecular Weight:	194.185
Synonyms:	Glucopyranose,3-O-methyl-, a-D-(8CI);3-O-Methyl-a-D-glucopyranose;3-O-Methyl-a-D-glucose;
EINECS:	236-197-7
Density:	1.47g/cm³
Melting Point:	167-169 °C(lit.)
Boiling Point:	406.3 °C at 760 mmHg
Flash Point:	199.5 °C
Appearance:	white fine crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36-26
PSA:	99.38000
LogP:	-2.56730

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Specification

The α-D-Glucopyranose, 3-O-methyl-, with CAS registry number 13224-94-7, belongs to the following product category: Sugars, Carbohydrates & Glucosides. It has the systematic name of 3-O-methyl-α-D-glucopyranose. This chemical is a kind of white fine crystalline powder. And it should be stored at the temperature of 0-6°C. And the chemical formula of this chemical is C₇H₁₄O₆. What's more, its EINECS is 236-197-7.

Physical properties of α-D-Glucopyranose, 3-O-methyl-: (1)ACD/LogP: -2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -2.67; (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: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 41.92 cm³; (15)Molar Volume: 131.9 cm³; (16)Polarizability: 16.61×10^-24cm³; (17)Surface Tension: 68.3 dyne/cm; (18)Density: 1.47 g/cm³; (19)Flash Point: 199.5 °C; (20)Enthalpy of Vaporization: 76.05 kJ/mol; (21)Boiling Point: 406.3 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The α-D-Glucopyranose, 3-O-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O([C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1O)CO)C
(2)InChI: InChI=1/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1
(3)InChIKey: SCBBSJMAPKXHAH-OVHBTUCOBR
(4)Std. InChI: InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1
(5)Std. InChIKey: SCBBSJMAPKXHAH-OVHBTUCOSA-N