Heptyl beta-D-glucopyranoside

Basic Information

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CAS Number

78617-12-6

Molecular Formula

C13H26O6

Molecular Weight

278.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

74-75 ºC

Density

1.21±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CCCCCCCOC1C(C(C(C(O1)CO)O)O)O

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

InChIKey

NIDYWHLDTIVRJT-UJPOAAIJSA-N

LogP

-0.22670000000000062

Topological Polar Surface Area

99.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

237

Synonyms & References

English

Heptyl-b-D-glucopyranoside
n-Heptyl beta-D-glucopyranoside, >=98.0% (TLC)
N-HEPTYL .BETA.-D-GLUCOSIDE
A865000
HEPTYL-BETA-D-GLUCOPYRANOSIDE
1-HEPTYL .BETA.-D-GLUCOSIDE
Q27094278
n-Heptyl beta-D-glucopyranoside
n-Heptyl beta-D-glucopyranoside, ~98% (GC)
HEPTYL-BETA-D-GLUCOPYRANOSIDE; heptyl beta-D-glucoside; heptyl D-glucoside; heptyl glucoside
CS-W020906
(2R,3R,4S,5S,6R)-2-(Heptyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
1-Heptyl beta-D-glucoside
AKOS027251086
n-Heptyl-I(2)-D-glucopyranoside
n-Heptyl
HEPTYL .BETA.-D-GLUCOPYRANOSIDE
128052-80-2
.beta.-D-Glucopyranoside, heptyl
N-HEPTYL .BETA.-D-GLUCOPYRANOSIDE
n-Heptyl beta-D-glucoside
UNII-BU2OC48XBR
n-Heptyl- beta -D-glucopyranoside
A-D-glucopyranoside
B7G
n-Heptyl-ss-D-glucopyranosid
DB03338
MFCD00063299
AS-73636
Heptyl b-D-glucopyranoside
Heptyl beta-D-glucopyranoside

MDL Number

MFCD00063299

Customs Code

29400000

FAQ

What are the physical and chemical properties of Heptyl beta-D-glucopyranoside (CAS: 78617-12-6)?

Heptyl beta-D-glucopyranoside (CAS: 78617-12-6) is a colorless to light yellow liquid with a molecular weight of approximately 262.3 g/mol. It has a high solubility in water and organic solvents. Chemically, it shows hydrophilic-lipophilic balance (HLB) values, indicating its amphiphilic nature. The compound is stable but may hydrolyze under acidic or basic conditions. It is non-toxic and has a low vapor pressure.

How is Heptyl beta-D-glucopyranoside (CAS: 78617-12-6) typically synthesized?

Heptyl beta-D-glucopyranoside (CAS: 78617-12-6) is typically synthesized through a glycosylation reaction between heptanol and beta-D-glucopyranosyl chloride in the presence of an acid catalyst such as trifluoromethanesulfonic acid (TFMSA). The reaction yields a high purity product with good selectivity. The overall yield is typically around 85-90%.

What industries use Heptyl beta-D-glucopyranoside (CAS: 78617-12-6)?

Heptyl beta-D-glucopyranoside (CAS: 78617-12-6) is used in pharmaceuticals for drug delivery systems, as a surfactant in cosmetics, and in the production of semiconductors for specific cleaning applications. It is also employed in the polymer industry as a modifier and in sensor technology for its unique solubility properties.

What precautions should be taken when handling Heptyl beta-D-glucopyranoside (CAS: 78617-12-6)?

When handling Heptyl beta-D-glucopyranoside (CAS: 78617-12-6), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Work should be conducted in a well-ventilated area or fume hood to prevent inhalation. In case of skin contact, wash with soap and water. If swallowed, seek medical attention immediately. Store the compound in a cool, dry place away from heat sources and incompatible materials. Refer to the safety data sheet (SDS) for detailed handling and storage information.