6-Methoxy-6-oxohexanoic acid

Basic Information

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CAS Number

627-91-8

Molecular Formula

C7H12O4

Molecular Weight

160.17 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

9°C

Boiling Point

162°C/10mmHg

Density

1.081 g/mL at 25 °C

Water Solubility

Not miscible or difficult to mix with water.

Refractive Index

n20/D 1.441(lit.)

SMILES

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COC(=O)CCCCC(=O)O

InChI

InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)

InChIKey

UOBSVARXACCLLH-UHFFFAOYSA-N

LogP

0.8043999999999998

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

141

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

Synonyms & References

English

Monomethyl adipate
hexanedioic acid monomethyl ester
METHYL ADIPATE
METHYL HYDROGEN ADIPATE
METHYL HYDROGEN HEXANE-1,6-DIOATE
MONO-METHYL ADIPATE
MONOMETHYL HEXANE-1,6-DIOATE
6-Methoxy-6-oxohexanoic acid
Methyl 5-carboxypentanoate
Methyl hemiadipate
fatty acid methyl ester
Methylhydrogeneadipate
Adipic acid methyl ester
Dihexanoic acid methyl ester
HEXANEDIOICACID,MONOMETHYLE
Methyladipinate
Adipic acid monomethyl ester, Monomethyl adipate
Adipic acid monomethyl ester, mono-Methyl adipate, Monomethyl adipate
5-Carbomethoxypentanoic acid
Dimethyl adipate
5-ethoxycarbonylpentanoic acid
6-ethoxy-6-oxo-hexanoic acid
adipic acid dimethylester
ADIPIC ACID,MONOETHYL ESTER
adipic diester
adipic monoester
Ethyl hydrogen adipate
Hexanedioic acid monoethyl ester
Monoethyl hexanedioate
MonoethylAdipate
Adipic Acid Monomethyl Ester

MDL Number

MFCD00004418

Customs Code

3824909990

FAQ

What is 6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8)?

6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8) is an organic compound with the chemical formula C7H12O4. It is a six-carbon carboxylic acid derivative containing a methoxy group and a ketone functional group. This compound is known for its stability and is commonly used in chemical synthesis due to its versatile structure.

What are the main uses of 6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8)?

6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8) is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in organic chemistry for creating complex molecules and in the development of new materials. Its use in food or industrial sectors is limited due to its chemical properties and regulatory status.

Is 6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8) safe?

6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8) is generally considered safe when handled properly. However, it should be treated with caution as it may cause skin or eye irritation. Safety standards recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and working in a well-ventilated area to minimize exposure risks.

How should 6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8) be stored?

6-Methoxy-6-oxohexanoic acid (CAS: 627-91-8) should be stored in a cool, dry, and dark place, ideally at 20-25°C. It is important to keep it away from moisture and light to maintain its stability. Use airtight containers made of glass or HDPE to prevent contamination and degradation.