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  8. 4-Acetylbutyric acid, 97%

4-Acetylbutyric acid, 97%

Numéro de catalogue. AAL0397814
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25 g
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AAL0397814 25 g
AAL0397806 5 g
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Numéro de catalogue. AAL0397814 Fournisseur Thermo Scientific Chemicals Code fournisseur L0397814
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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.

Identifiants chimiques

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
ChEBI CHEBI:15888

Spécifications

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 25 g
Beilstein 385840
Solubility Information Slightly soluble in water,chloroform and methanol.
SMILES CC(=O)CCCC(=O)O
IUPAC Name 5-oxohexanoic acid
PubChem CID 18407
Formula Weight 130.14
Percent Purity 97%
Chemical Name or Material 4-Acetylbutyric acid
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Sécurité et manipulation

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

RUO – Research Use Only