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| CAS No.: | 85618-21-9 |
|---|---|
| Name: | b-D-Glucopyranoside, octyl 1-thio- |
| Article Data: | 5 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C14H28O5S |
| Molecular Weight: | 308.43 |
| Synonyms: | 1-n-Octylb-D-thioglucopyranoside;Octyl b-D-thioglucopyranoside;Octyl b-thioglucoside;S-Octyl-1-thio-b-D-glucopyranose;n-Octyl b-D-thioglucopyranoside; |
| EINECS: | 617-729-0 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 125-131 °C |
| Boiling Point: | 489.7 °C at 760 mmHg |
| Flash Point: | 250 °C |
| Solubility: | Soluble in water |
| Appearance: | colourless waxy semi-solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-37/39-26 |
| Transport Information: | N/A |
| PSA: | 115.45000 |
| LogP: | 0.88000 |
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Product Name: beta-D-Glucopyranoside, octyl 1-thio- (CAS NO.85618-21-9)
Molecular Formula: C14H28O5S
Molecular Weight: 308.43g/mol
Mol File: 85618-21-9.mol
Appearance: Colourless Waxy Semi-Solid
Melting Point: 125-131 °C
Storage Temperature: -20°C
Index of Refraction: 1.547
Molar Refractivity: 80.61 cm3
Molar Volume: 253.9 cm3
Surface Tension: 55 dyne/cm
Density: 1.21 g/cm3
Flash Point: 250 °C
Enthalpy of Vaporization: 87.1 kJ/mol
Boiling Point: 489.7 °C at 760 mmHg
Vapour Pressure: 1.21E-11 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 4
H-Bond Acceptor: 5
Structure Descriptors of beta-D-Glucopyranoside, octyl 1-thio- (CAS NO.85618-21-9):
IUPAC Name: 2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Canonical SMILES: CCCCCCCCSC1C(C(C(C(O1)CO)O)O)O
InChI: InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3
InChIKey: CGVLVOOFCGWBCS-UHFFFAOYSA-N
Product Categories: Carbohydrates & Derivatives; Detergents; Carbohydrates
Safety Information of beta-D-Glucopyranoside, octyl 1-thio- (CAS NO.85618-21-9):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 3-10
beta-D-Glucopyranoside, octyl 1-thio- , its CAS NO. is 85618-21-9, the synonyms are N-Octyl-beta-D-thioglucoside ; Octylthioglucoside .
