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CAS No.: | 78617-12-6 |
---|---|
Name: | HEPTYL-BETA-D-GLUCOPYRANOSIDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C13H26O6 |
Molecular Weight: | 278.346 |
Synonyms: | 1-Heptylb-D-glucoside;Heptyl glucoside;Heptyl b-D-glucopyranoside;n-Heptyl b-D-glucopyranoside;n-Heptyl b-D-glucoside; |
EINECS: | 1533716-785-6 |
Density: | 1.21 g/cm3 |
Melting Point: | 74-75℃ |
Boiling Point: | 443.1 °C at 760 mmHg |
Flash Point: | 221.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 99.38000 |
LogP: | -0.22670 |
n-heptyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside
n-heptyl beta-D-glucopyranoside
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 24h; | 65% |
With methanol; barium methoxide | |
With sodium methylate In methanol Heating; | |
With triethylamine In methanol; water at 20℃; for 24h; |
n-heptyl beta-D-glucopyranoside
Conditions | Yield |
---|---|
With water; triethylamine In methanol at 50℃; for 14h; | 27% |
Conditions | Yield |
---|---|
With sulfuric acid In 1,4-dioxane Yield given; | A 18% B n/a |
With sulfuric acid In 1,4-dioxane Yields of byproduct given; | A 18% B n/a |
Conditions | Yield |
---|---|
With phosphate buffer; β-glucosidase at 30℃; for 20h; pH=5; | 11% |
Conditions | Yield |
---|---|
With almond meal In water at 50℃; for 168h; Thermodynamic data; Equilibrium constant; Enzymatic reaction; | 4.57% |
With almond meal cross-linked with glutaraldehyde In water at 50℃; for 168h; Equilibrium constant; Enzymatic reaction; |
Cellobiose
n-heptan1ol
n-heptyl beta-D-glucopyranoside
Conditions | Yield |
---|---|
In water at 30℃; for 48h; β-glucosidase from Trichoderma viride; Yield given; |
n-heptan1ol
n-heptyl beta-D-glucopyranoside
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 70 percent / lithium carbonate / CH2Cl2 / 16 h / 30 °C 2: 65 percent / sodium methoxide / methanol / 24 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: silver oxide; calcium sulfate / Reagens 4: Benzol 2: barium methylate; methanol View Scheme |
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide
n-heptyl beta-D-glucopyranoside
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 70 percent / lithium carbonate / CH2Cl2 / 16 h / 30 °C 2: 65 percent / sodium methoxide / methanol / 24 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: silver oxide; calcium sulfate / Reagens 4: Benzol 2: barium methylate; methanol View Scheme |
β-D-glucose pentaacetate
n-heptyl beta-D-glucopyranoside
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 90 percent / glacial acetic acid; hydrobromic acid / 2 h / 30 °C 2: 70 percent / lithium carbonate / CH2Cl2 / 16 h / 30 °C 3: 65 percent / sodium methoxide / methanol / 24 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: SnCl4; molecular sieves 4 Angstroem / CH2Cl2 / 1 h / 20 °C 2: NaOMe / methanol / Heating View Scheme |
Conditions | Yield |
---|---|
With cellobiose; α-glucose-1-phosphate; cellobiose phosphorylase from Clostridium thermocellum YM4; sucrose phosphorylase from Pseudomonas saccharophilia In phosphate buffer at 40℃; for 20h; pH=7.0; |
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The β-D-Glucopyranoside, heptyl is an organic compound with the formula C13H26O6. The systematic name of this chemical is heptyl beta-D-glucopyranoside. With the CAS registry number 78617-12-6, it is also named as Heptyl-β-D-glucopyranoside solution. The product's categories are Detergents; Detergents A to ZDetergents; Non-Ionic. Besides, it should be stored at temperature of -20 °C.
Physical properties about β-D-Glucopyranoside, heptyl are: (1)ACD/LogP: 0.50; (2)#H bond acceptors: 6; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 12; (5)Polar Surface Area: 55.38 Å2; (6)Index of Refraction: 1.518; (7)Molar Refractivity: 69.7 cm3; (8)Molar Volume: 229.9 cm3; (9)Polarizability: 27.63×10-24cm3; (10)Surface Tension: 52.7 dyne/cm; (11)Density: 1.21 g/cm3; (12)Flash Point: 221.8 °C; (13)Enthalpy of Vaporization: 80.86 kJ/mol; (14)Boiling Point: 443.1 °C at 760 mmHg; (15)Vapour Pressure: 1.03E-09 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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(CCCCCCC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
(3)InChIKey: NIDYWHLDTIVRJT-UJPOAAIJBB
(4)Std. InChI: InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
(5)Std. InChIKey: NIDYWHLDTIVRJT-UJPOAAIJSA-N