Adipic Acid Monoethyl Ester

Basic Information

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CAS Number

626-86-8

Molecular Formula

C8H14O4

Molecular Weight

174.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

28-29 °C

Boiling Point

180 °C/18 mmHg

Density

0.98 g/mL at 25 °C

Water Solubility

Soluble in water.

Solubility

H2O: soluble50mg/mL, clear, colorless

Refractive Index

n20/D 1.439(lit.)

SMILES

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CCOC(=O)CCCCC(=O)O

InChI

InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)

InChIKey

UZNLHJCCGYKCIL-UHFFFAOYSA-N

LogP

1.1945000000000001

Topological Polar Surface Area

63.6 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

153

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with bases, reducing agents, oxidizing agents.

Synonyms & References

English

6-Ethoxy-6-oxohexanoic acid
AI3-11210
6-Ethoxy-6-oxohexanoic acid #
A8664
NSC-8877
ADIPIC ACID, MONOETHYL ESTER
SCHEMBL391807
Mono ethyl adipate
EINECS 210-966-7
Hexanedioic acid, 1-ethyl ester
MonoethylAdipate
Monoethyl adipate
GEO-00054
Ethyl hydrogen adipate
A1223
6-eEhoxy-6-oxohexanoic acid
CS-W020587
Monoethyladipic acid ester
Ethyl adipate monethyl ester
adipic acid mono ethyl ester
AKOS005254558
6-ethoxy-6-keto-hexanoic acid
6-Ethoxy-6-oxohexanoicacid
AMY4061
Adipic acid monoethyl ester, 97%
Hexanedioic acid, monoethyl ester
BRN 1769469
FT-0621923
Monoethyl hexanedioate
2-ethylhexanedioate
Hexane dioic acid monoethyl ester

MDL Number

MFCD00004419

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Adipic Acid Monoethyl Ester (CAS: 626-86-8)?

Adipic Acid Monoethyl Ester (CAS: 626-86-8) is a colorless or light yellow liquid with a molecular weight of approximately 174.23 g/mol. It has a high boiling point of 235°C and a low melting point of 22°C. The compound is slightly soluble in water but miscible with common organic solvents. It is reactive towards bases and can undergo esterification and hydrolysis reactions.

How is Adipic Acid Monoethyl Ester (CAS: 626-86-8) typically synthesized?

Adipic Acid Monoethyl Ester is typically synthesized by the esterification reaction between adipic acid and ethanol. This process is often catalyzed by a strong acid such as sulfuric acid. The reaction is carried out in the presence of a solvent, and the yield is generally high, with a selectivity towards monoethyl ester formation. The reaction is monitored to avoid over-esterification and ensure purity.

What industries use Adipic Acid Monoethyl Ester (CAS: 626-86-8)?

Adipic Acid Monoethyl Ester (CAS: 626-86-8) is used in various industries. It is a key component in the production of polyurethane and other polyesters. It is also used in the synthesis of certain pharmaceuticals, as a precursor in the production of adhesives and coatings, and in the development of sensors and semiconductors. Its versatility makes it a valuable chemical in both industrial and laboratory settings.

What precautions should be taken when handling Adipic Acid Monoethyl Ester (CAS: 626-86-8)?

When handling Adipic Acid Monoethyl Ester (CAS: 626-86-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhaling fumes. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.