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78617-12-6

Basic Information
CAS No.: 78617-12-6
Name: HEPTYL-BETA-D-GLUCOPYRANOSIDE
Article Data: 12
Molecular Structure:
Molecular Structure of 78617-12-6 (HEPTYL-BETA-D-GLUCOPYRANOSIDE)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 99.38000
LogP: -0.22670
Synthetic route
28245-00-3

n-heptyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
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;

C20H32O11

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
With water; triethylamine In methanol at 50℃; for 14h;27%
2280-44-6

D-Glucose

111-70-6

n-heptan1ol

A

heptyl α-D-glucopyranoside, anhydrous

B

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
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
111-70-6

n-heptan1ol

2492-87-7

4-nitrophenyl-β-D-glucoside

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
With phosphate buffer; β-glucosidase at 30℃; for 20h; pH=5;11%
492-61-5

β-D-glucose

111-70-6

n-heptan1ol

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
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;
111-70-6

n-heptan1ol

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
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
572-09-8

2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
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
604-69-3

β-D-glucose pentaacetate

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
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
111-70-6

n-heptan1ol

57-50-1

Sucrose

78617-12-6

n-heptyl beta-D-glucopyranoside

Conditions
ConditionsYield
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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Specification

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