4-Acetylbutyric acid, 97%

Description

CAS: 3128-06-1 | C6H10O3 | 130.14 g/mol

4-Acetylbutyric acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. It is also used to prepare PARP inhibitors for the treatment of cancer.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
4-Acetylbutyric acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. It is also used to prepare PARP inhibitors for the treatment of cancer.

Solubility
Slightly soluble in water, chloroform and methanol.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Incompatible with oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 3128-06-1
• Molecular Formula: C6H10O3
• Molecular Weight (g/mol): 130.14
• MDL Number: MFCD00004412
• InChI Key: MGTZCLMLSSAXLD-UHFFFAOYSA-N
• Synonym: 4-acetylbutyric acid, 5-ketohexanoic acid, hexanoic acid, 5-oxo, 5-ketocaproic acid, 5-oxo-hexanoic acid, 4-acetylbutyricacid, 5-keto-n-caproic acid, 5-oxocaproic acid, delta-oxocaproic acid, delta-ketocaproic acid

• Melting Point: 12°C to 14°C
• Density: 1.1
• Boiling Point: 274°C to 275°C
• Flash Point: >110°C (230°F)
• Refractive Index: 1.4451
• Quantity: 5 g
• Beilstein: 385840
• Solubility Information: Slightly soluble in water,chloroform and methanol.
• SMILES: CC(=O)CCCCC(=O)O
• IUPAC Name: 6-oxoheptanoic acid
• PubChem CID: 98810
• Formula Weight: 130.14
• Percent Purity: 97%
• Chemical Name or Material: 4-Acetylbutyric acid

Safety and Handling

Hazard Category	H315-H319
Hazard Statement	GHS H Statement H315-H319 Causes skin irritation. Causes serious eye irritation.
Precautionary Statement	P264b-P280-P302+P352-P305+P351+P338-P332+P313-P362
EINECSNumber	221-511-7
TSCA	Yes

SDS

RUO – Research Use Only