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CAS No.: | 138-52-3 |
---|---|
Name: | 2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C13H18O7 |
Molecular Weight: | 286.282 |
Synonyms: | Salicyl alcohol glucoside;Salicine;Salicoside;a-D-Glucopyranoside,2-(hydroxymethyl)phenyl;Benzyl alcohol, o-hydroxy-, o-glucoside;2-(Hydroxymethyl)-phenyl-beta-D-glucopyranoside;Saligenin-.beta.-D-glucopyranoside;(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol;2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol;White willow bark P. E.;α-hydroxy-o-tolyl β-D-glucopyranoside;Salicylaldehyde glycosides;Salicin;White Willow Bark Extract; |
EINECS: | 205-331-6 |
Density: | 1.504 g/cm3 |
Melting Point: | 197-200 °C |
Boiling Point: | 549.1 °C at 760 mmHg |
Flash Point: | 285.9 °C |
Solubility: | 36 g/L (15°C), 250 g/L (60 °C) in water |
Appearance: | white crystals or powder |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37-24/25 |
PSA: | 119.61000 |
LogP: | -1.64240 |
D-(-)-salicin
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 2h; | 99% |
2-(hydroxymethyl)phenyl-6-O-acetyl-β-D-glucopyranoside
D-(-)-salicin
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 2h; | 99% |
2-({[(1-hydroxy-6-oxocyclohex-2-en-1-yl)carbonyl]oxy}methyl)phenyl β-D-glucopyranoside 2-benzoate
D-(-)-salicin
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 7h; | 46% |
D-Glucose
salicylic alcohol
A
2-hydroxybenzyl alcohol-7-O-β-D-glucopyranoside
B
D-(-)-salicin
Conditions | Yield |
---|---|
With almond β-D-glucosidase In water; acetonitrile at 40℃; for 48h; Enzymatic reaction; | A 9% B 6% |
helicin acetate
D-(-)-salicin
Conditions | Yield |
---|---|
With 1,4-dioxane; lithium aluminium tetrahydride; diethyl ether anschl. mit Methanol; |
2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]hydroxy]methyl]phenyl-β-D-glucopyranoside
A
2-hydroxy-2-cyclohexen-1-one
C
D-(-)-salicin
Conditions | Yield |
---|---|
enzyme from Populus balsamifera at 27℃; incubation; |
B
D-(-)-salicin
C
o-methoxycarbonylphenyl β-D-glucopyranoside
Conditions | Yield |
---|---|
With sodium methylate In methanol for 1h; Ambient temperature; |
A
methyl 2-β-D-glucopyranosyloxy-6-hydroxybenzoate
D
D-(-)-salicin
Conditions | Yield |
---|---|
With sodium methylate In methanol for 1h; Ambient temperature; |
2-methyl-benzyl alcohol
Sucrose
A
2-hydroxybenzyl alcohol-7-O-β-D-glucopyranoside
B
D-(-)-salicin
Conditions | Yield |
---|---|
With Agrobacterium rhizogenes-induced Pharbitis nil hairy roots; MS medium for 120h; | A 50 mg B 35 mg |
salicin pentaacetate
D-(-)-salicin
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 1h; Inert atmosphere; | 80 mg |
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IUPAC Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Synonyms of D(-)-Salicin (CAS NO.138-52-3): 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside ; Benzyl alcohol, o-hydroxy-, o-glucoside ; Salicine ; Salicoside ; Salicyl alcohol glucoside ; o-(Hydroxymethyl)phenyl beta-D-glucopyranoside ; B-D-Glucopyranoside, 2-(hydroxymethyl)phenyl ; Salicin (6CI,8CI)
CAS NO: 138-52-3
Molecular Formula: C13H18O7
Molecular Weight: 286.28
Molecular Structure:
EINECS: 205-331-6
H bond acceptors: 7
H bond donors: 5
Freely Rotating Bonds: 9
Polar Surface Area: 64.61 Å2
Index of Refraction: 1.638
Molar Refractivity: 68.41 cm3
Molar Volume: 190.3 cm3
Surface Tension: 70.1 dyne/cm
Density: 1.504 g/cm3
Flash Point: 285.9 °C
Enthalpy of Vaporization: 87.22 kJ/mol
Boiling Point: 549.1 °C at 760 mmHg
Vapour Pressure: 6.85E-13 mmHg at 25°C
Melting point 197-200°C
Alpha: -61.5 º (c=5, water)
Water solubility: 36 g/L (15°C), 250 g/L (60 °C)
Storage temp: Store at RT.
Appearance: white crystals or powder
Stability: Stability Stable, but light sensitive. Incompatible with strong oxidizing agents.
Product Categories of D(-)-Salicin (CAS NO.138-52-3): Sugars, Carbohydrates & Glucosides;Biochemistry;Glucose;Glycosides;Sugars;Natural Plant Extract;Herbs & Natural Remedies
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 63, 1954. |
Safety Information of D(-)-Salicin (CAS NO.138-52-3):
The Hazard Codes: Xi
The Risk Statements: 43
43: May cause sensitization by skin contact
The Safety Statements: 36/37-24/25
24/25: Avoid contact with skin and eyes
36/37: Wear suitable protective clothing and gloves
WGK Germany: 3
RTECS: LZ5901700
F: 3-10
HS Code: 29389090
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.