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29980-16-3

Basic Information
CAS No.: 29980-16-3
Name: α-D-glucopyranoside, dodecyl
Article Data: 23
Cas Database
Molecular Structure:
Molecular Structure of 29980-16-3 (α-D-glucopyranoside, dodecyl)
Formula: C18H36O6
Molecular Weight: 348.48
Synonyms: Glucopyranoside,dodecyl, a-D- (8CI);Dodecyl a-D-glucopyranoside;Dodecyl a-D-glucoside;Lauryl a-D-glucopyranoside;n-Dodecyl a-D-glucopyranoside;
EINECS: 249-988-7
Density: 1.12 g/cm3
Melting Point: N/A
Boiling Point: 499.1 °C at 760 mmHg
Flash Point: 255.6 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 99.38000
LogP: 1.72380
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    Molecular Formula:C18H36O6 Molecular Weight:348.47 Pharmaceutical IntermediatesAppearance:white or almost crystalline powder

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Specification

The α-D-glucopyranoside, dodecyl, with the CAS registry number 29980-16-3, is also known as Dodecyl α-D-gluco-hexopyranoside. Its EINECS number is 249-988-7. This chemical's molecular formula is C18H36O6 and molecular weight is 348.47. What's more, its systematic name is dodecyl α-D-glucopyranoside.

Physical properties of α-D-glucopyranoside, dodecyl are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 147.15; (6)ACD/BCF (pH 7.4): 147.15; (7)ACD/KOC (pH 5.5): 1239.61; (8)ACD/KOC (pH 7.4): 1239.61; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 92.86 cm3; (15)Molar Volume: 311.1 cm3; (16)Polarizability: 36.81×10-24 cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 255.6 °C; (20)Enthalpy of Vaporization: 88.38 kJ/mol; (21)Boiling Point: 499.1 °C at 760 mmHg; (22)Vapour Pressure: 4.72E-12 mmHg at 25°C.

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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O(CCCCCCCCCCCC)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18+/m1/s1
(3)InChIKey: PYIDGJJWBIBVIA-SFFUCWETBY