Tetrahydro-2H-pyran-4-ylacetic acid

Basic Information

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CAS Number

85064-61-5

Molecular Formula

C7H12O3

Molecular Weight

144.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

60-66°C

Boiling Point

285.1℃ at 760 mmHg

Flash Point

119.2℃

SMILES

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OC(=O)CC1CCOCC1

InChI

InChI=1S/C7H12O3/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H,8,9)

InChIKey

PBXYNWPYMVWJAH-UHFFFAOYSA-N

LogP

0.8876999999999999

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

116

Safety Information

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Hazard Statement

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

Tetrahydropyran-4-yl-acetic acid
Tetrahydropyranyl-4-acetic acid
2-(oxan-4-yl)acetic acid
2-Tetrahydropyran-4-ylacetic acid
C7H12O3
etrahydropyranyl-4-acetic acid
Tetrahydropyran-4-acetic acid
Tetrahydropyran-4-ylacetic acid
(Tetrahydro-2H-pyran-4-yl)aceticacid
2-(Tetrahydro-2H-pyran-4-yl)acetic acid
2-(Tetrahydropyran-4-yl)aceticacid
tetrahydro-2h-pyran-4-ylacetic acid
2h-pyran-4-acetic acid, tetrahydro-
2-(4-Tetrahydropyranyl)acetic Acid
(tetrahydro-pyran-4-yl)-acetic acid
Tetrahydropyranyl-4-aceticacid
PubChem9729
4Tetrahydropyranylacetic acid
4-Tetrahydropyranylac
2-tetrahydropyran-4-ylacetic acid

MDL Number

MFCD01631204

Customs Code

2932999099

FAQ

What are the physical and chemical properties of Tetrahydro-2H-pyran-4-ylacetic acid (CAS: 85064-61-5)?

Tetrahydro-2H-pyran-4-ylacetic acid (CAS: 85064-61-5) is a colorless to white crystalline solid with a molecular weight of approximately 192.2 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. Reactivity is moderate, with a tendency to form esters and amides. The compound exhibits basic properties and can react with acids to form salts.

How is Tetrahydro-2H-pyran-4-ylacetic acid (CAS: 85064-61-5) typically synthesized?

Tetrahydro-2H-pyran-4-ylacetic acid is typically synthesized via acid catalyzed ring opening of 4-hydroxytetrahydro-2H-pyran followed by acylation. The synthesis is performed using mild conditions to ensure good yield and selectivity. Common catalysts include sulfuric acid or hydrochloric acid, and the reaction can be conducted in water or an organic solvent such as methanol.

What industries use Tetrahydro-2H-pyran-4-ylacetic acid (CAS: 85064-61-5)?

Tetrahydro-2H-pyran-4-ylacetic acid (CAS: 85064-61-5) is widely used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of medicinals and in the production of polyurethane and other polymers. Additionally, it is used in the development of sensors and as a chelating agent in various applications.

What precautions should be taken when handling Tetrahydro-2H-pyran-4-ylacetic acid (CAS: 85064-61-5)?

When handling Tetrahydro-2H-pyran-4-ylacetic acid (CAS: 85064-61-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure to work in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.