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31387-97-0

Basic Information
CAS No.: 31387-97-0
Name: butyl D-glucoside
Article Data: 12
Molecular Structure:
Molecular Structure of 31387-97-0 (butyl D-glucoside)
Formula: C10H20O6
Molecular Weight: 236.265
Synonyms: Glucoside,butyl, D- (8CI);Butyl D-glucopyranoside;n-Butyl D-glucopyranoside;
EINECS: 250-608-7
Density: 1.3 g/cm3
Boiling Point: 412 °C at 760 mmHg
Flash Point: 202.9 °C
PSA: 99.38000
LogP: -1.39700
Synthetic route
2492-87-7

4-nitrophenyl-β-D-glucoside

71-36-3

butan-1-ol

31387-97-0

n-butyl D-glucoside

Conditions
ConditionsYield
With Dalbergia cochinchinensis Pierre dalcochinase N189F mutant; sodium acetate In water at 30℃; for 0.0833333h; pH=5; Kinetics; Reagent/catalyst; Enzymatic reaction;96%
2280-44-6

D-Glucose

71-36-3

butan-1-ol

31387-97-0

n-butyl D-glucoside

Conditions
ConditionsYield
With montmorillonite K-10 at 90℃; for 0.166667h; Fischer glycosylation; microwave irradiation;82%
With toluene-4-sulfonic acid at 100℃;64%
With amyloglucosidase of Rhizopus mold In di-isopropyl ether; acetate buffer at 68℃; for 72h; pH=4.0;28 % Turnov.
cellulose

cellulose

71-36-3

butan-1-ol

31387-97-0

n-butyl D-glucoside

Conditions
ConditionsYield
Stage #1: cellulose With sulfuric acid for 2h; Milling;
Stage #2: butan-1-ol at 150℃; for 0.25h; Catalytic behavior; Reagent/catalyst; Temperature; Autoclave;
66%
492-62-6

alpha-D-glucopyranose

71-36-3

butan-1-ol

A

31387-97-0

n-butyl D-glucoside

B

butyl-D-glucofuranoside

Conditions
ConditionsYield
Al-MCM-41 at 119.85℃; for 4h; Kinetics; Product distribution; Further Variations:; Catalysts; Alkylation;A 52%
B 48%
492-62-6

alpha-D-glucopyranose

71-36-3

butan-1-ol

A

31387-97-0

n-butyl D-glucoside

B

butyl glucofuranoside

Conditions
ConditionsYield
With zeolite H-beta at 119.9℃; for 4h; Product distribution; zeolite composition and properties, var. temp.;
Conditions
ConditionsYield
Stage #1: α-cellulose With water; 1-butyl-3-methylimidazolium chloride at 99.84℃; for 5h; Acidic conditions;
Stage #2: butan-1-ol at 89.84℃; under 760.051 Torr; for 24h;
A 6.9 %Chromat.
B 16.4 %Chromat.
C 5 %Chromat.
oat spelt xylan

oat spelt xylan

71-36-3

butan-1-ol

A

914491-29-5

1-O-n-butyl-L-arabinoside

B

1238180-83-0

n-butyl D-xyloside

C

31387-97-0

n-butyl D-glucoside

Conditions
ConditionsYield
With sulfuric acid; water at 90℃; for 3h; Kinetics; Concentration; Time;A 100 %Chromat.
B 96 %Chromat.
C 100 %Chromat.
cellulose

cellulose

71-36-3

butan-1-ol

A

1238180-83-0

n-butyl D-xyloside

B

31387-97-0

n-butyl D-glucoside

Conditions
ConditionsYield
Stage #1: cellulose With water at 99.84℃; for 1.5h; Ionic liquid;
Stage #2: butan-1-ol at 89.84℃; under 300.03 Torr; for 24h; Fischer glycosylation; Ionic liquid;
A 7.1 %Chromat.
B 46.1 %Spectr.
Conditions
ConditionsYield
In water at 50℃; for 18h; acetate buffer (pH 5), almond meal;83%
Multi-step reaction with 2 steps
1: pyridine / Ambient temperature
2: Na / methanol / Ambient temperature
View Scheme
143-07-7

lauric acid

31387-97-0

n-butyl D-glucoside

butyl 6-O-dodecanoylglucoside

Conditions
ConditionsYield
With lipase from Candida antarctica at 70℃; under 7.5 Torr; for 6h; Yield given;
Downstream Products
58846-77-8
29781-81-5
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Specification

The CAS registry number of D-Glucopyranoside,butyl is 31387-97-0. Its EINECS registry number is 250-608-7. In addition, the molecular formula is C10H20O6 and the molecular weight is 236.26. The systematic name is butyl β-D-glucopyranoside. What's more, it should be stored in sealed container, and put them in a cool and dry place.

Physical properties about D-Glucopyranoside,butyl are: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.04; (8)ACD/KOC (pH 7.4): 6.04; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 55.81 cm3; (15)Molar Volume: 181 cm3; (16)Polarizability: 22.12 ×10-24cm3; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 202.9 °C; (20)Enthalpy of Vaporization: 76.78 kJ/mol; (21)Boiling Point: 412 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1
(3)InChIKey: BZANQLIRVMZFOS-HOTMZDKIBG