4-(4-Acetyl-phenoxy)-butyric acid

Basic Information

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CAS Number

65623-82-7

Molecular Formula

C12H14O4

Molecular Weight

222.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

426.7°C at 760 mmHg

Flash Point

166.6°C

SMILES

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CC(=O)C1=CC=C(C=C1)OCCCC(=O)O

InChI

InChI=1S/C12H14O4/c1-9(13)10-4-6-11(7-5-10)16-8-2-3-12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)

InChIKey

FNHIEZKOCYDCOH-UHFFFAOYSA-N

LogP

2.1328000000000005

Topological Polar Surface Area

63.6 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

241

Synonyms & References

English

4-(4-ACETYL-PHENOXY)-BUTYRIC ACID
4-(4-acetylphenoxy)butanoic acid
4-(4-acetyl-phenoxy)butanoic acid
4-(4-Acetylphenyloxy)butyric acid
4-(p-acetylphenoxy)butyric acid
65623-82-7
DTXSID80368170
AS-61489
4-(p-Acetylphenoxy)butyric acid
SCHEMBL445511
F20506
EN300-00272
AKOS000103090
AcBut
CS-0182130
HY-132261
SR-01000036227-1
MFCD03658048
Z56858244
4-(4-Acetyl-phenoxy)-butyric acid
FNHIEZKOCYDCOH-UHFFFAOYSA-N
SR-01000036227
4-(4-acetylphenoxy)butanoic Acid
DB-099417

MDL Number

MFCD03658048

Customs Code

2918990090

FAQ

What is 4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7)?

4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7) is an organic compound with the molecular formula C12H13NO3. It is a derivative of butyric acid with a substituted phenolic group and an acetyl group. This compound is known for its distinctive odor and is used in various applications such as pharmaceuticals, pesticides, and as a research tool.

What are the main uses of 4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7)?

4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7) is primarily used in the pharmaceutical industry as a precursor in the synthesis of other compounds. It is also utilized as an intermediate in pesticides and as a research compound in organic chemistry and drug discovery.

Is 4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7) safe?

4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7) is generally considered safe under normal handling conditions, but precautions should be taken. Users should avoid inhalation, skin contact, and ingestion. Protective measures include wearing appropriate personal protective equipment (PPE) and ensuring good ventilation. This compound should be handled according to the Material Safety Data Sheet (MSDS) and relevant safety guidelines.

How should 4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7) be stored?

4-(4-Acetyl-phenoxy)-butyric acid (CAS: 65623-82-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent degradation. The storage temperature should ideally be between 15-25°C, with a relative humidity below 60%. It is also important to store it away from oxidizing agents and other incompatible materials to ensure safety.