1,4:3,6-Dianhydro-D-glucitol

Basic Information

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CAS Number

652-67-5

Molecular Formula

C6H10O4

Molecular Weight

146.14 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

58.0 to 63.0 deg-C

Boiling Point

175°C/2mmHg

Density

1.0945 (rough estimate)

Water Solubility

Soluble in alcohols, water and ketones.

Refractive Index

45 ° (C=5, H2O)

Specific Rotation

42 º (c=3, H2O)

SMILES

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O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12

InChI

InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1

InChIKey

KLDXJTOLSGUMSJ-JGWLITMVSA-N

LogP

-1.4942000000000004

Topological Polar Surface Area

58.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

122

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Hygroscopic

Synonyms & References

English

(3R,3aR,6S,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol
1,4:3,6-DIANHYDRO-D-GLUCITOL
1,4:3,6-DIANHYDRO-D-SORBITOL
1,4:3,6-DIANHYDROGLUCITOL
1,4:3,6-DIANHYDROSORBITOL
(3S,3AR,6R,6AR)-HEXAHYDRO-FURO[3,2-B]FURAN-3,6-DIOL
DIANHYDRO-D-GLUCITOL
DIANHYDRO-D-SORBITOL
D-ISOSORBIDE
1,4:3,6-dianhydro-d-glucito
4:3,6-dianhydro-d-glucito
at101
d-1,4:3,6-dianhydroglucitol
devicoran
hydronol
isobide
Isosorbid
D-Glucitol, 1,4:3,6-dianhydro-
D-Glucitol, 1,4:3,6-dianhydro- (9CI)
Isosorbide
D-Sorbitol
1,4:3,6-dianhydrogluticol
IsMotic
Sorbid
(+)-D-Isosorbide
Vascardin dinitrate
1,4-Dianhydrosorbitol
Hydronol (VAN)
Isosorbidum [INN-Latin]
Isosorbida [INN-Spanish]
Glucitol, 1,4:3,6-dianhydro

MDL Number

MFCD00064827

Customs Code

2932999099

FAQ

What is 1,4:3,6-Dianhydro-D-glucitol (CAS: 652-67-5)?

1,4:3,6-Dianhydro-D-glucitol, with the CAS number 652-67-5, is a cyclic diol compound derived from D-glucitol. It has the chemical formula C6H12O6 and is characterized by its two hydroxyl groups at specific positions, making it a key intermediate in the synthesis of various pharmaceutical and industrial compounds. It is also known for its stability and solubility in polar solvents.

What are the main uses of 1,4:3,6-Dianhydro-D-glucitol (CAS: 652-67-5)?

1,4:3,6-Dianhydro-D-glucitol is primarily used in the pharmaceutical industry as a precursor for the synthesis of antiviral and antifungal drugs. It also finds applications in the production of certain polymers and as a component in food additives. In research settings, it serves as a building block for developing new chemical compounds and materials.

Is 1,4:3,6-Dianhydro-D-glucitol (CAS: 652-67-5) safe?

1,4:3,6-Dianhydro-D-glucitol is generally considered safe when handled properly. However, it should be treated with caution to avoid inhalation or skin contact. Safety data sheets recommend using appropriate personal protective equipment (PPE) and maintaining good ventilation. It is not classified as highly toxic but should be stored and used in accordance with standard chemical safety protocols.

How should 1,4:3,6-Dianhydro-D-glucitol (CAS: 652-67-5) be stored?

1,4:3,6-Dianhydro-D-glucitol should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture and direct light. Proper storage helps prevent degradation and ensures the compound remains effective for its intended applications.