4-Methylvaleric acid, 99%

Description

CAS: 646-07-1 | C6H12O2 | 116.16 g/mol

4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2?S)-2?,4?-dimethyl-valeryl)]-2-oxazolidinone. It is a versatile building block used in the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and antagonists. It is involved in the synthesis of novel series of high affinity, functionally potent antagonists of the CCR1 receptor.

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-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2′S)-2′,4′-dimethyl-valeryl)]-2-oxazolidinone. It is a versatile building block used in the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and antagonists. It is involved in the synthesis of novel series of high affinity, functionally potent antagonists of the CCR1 receptor.

Solubility
Soluble in alcohol. Slightly soluble in water.

Notes
Store in cool, dry conditions in a well sealed container. Store away from oxidizing agents, bases.

Specifications

Chemical Identifiers

• CAS: 646-07-1
• Molecular Formula: C6H12O2
• Molecular Weight (g/mol): 116.16
• MDL Number: MFCD00002803
• InChI Key: FGKJLKRYENPLQH-UHFFFAOYSA-N
• Synonym: 4-methylvaleric acid, isocaproic acid, isohexanoic acid, pentanoic acid, 4-methyl, isobutylacetic acid, 4-methyl-pentanoic acid, valeric acid, 4-methyl, 4-methyl valeric acid, isocaproate, 4,4-dimethylbutanoic acid
• PubChem CID: 12587
• ChEBI: CHEBI:74903
• IUPAC Name: 4-methylpentanoic acid
• SMILES: CC(C)CCC(=O)O

• Melting Point: -35°C
• Density: 0.923
• Boiling Point: 199°C to 201°C
• Flash Point: 97°C (206°F)
• Odor: Unpleasant
• Refractive Index: 1.4146
• Quantity: 100 g
• UN Number: UN2922
• Beilstein: 1741912
• Solubility Information: Soluble in alcohol. Slightly soluble in water.
• Formula Weight: 116.16
• Percent Purity: 99%
• Chemical Name or Material: 4-Methylvaleric acid

Safety and Handling

Hazard Category	H311-H314
Hazard Statement	GHS H Statement H311-H314-H318 Toxic in contact with skin. Causes severe skin burns and eye damage. Causes serious eye damage.
Precautionary Statement	P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE LIQUIDS, TOXIC, N.O.S.
EINECSNumber	211-464-0
RTECSNumber	NR2975000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only