553115

3-Methyl-4-pentenoic acid

97%

• Linear Formula: CH₂=CHCH(CH₃)CH₂CO₂H
• CAS Number: 1879-03-4
• Molecular Weight: 114.14
• MDL number: MFCD03427129
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879305
• NACRES: NA.22

Properties

• assay: 97%
• refractive index: n20/D 1.429 (lit.)
• bp: 75-76 °C/4 mmHg (lit.)
• density: 0.94 g/mL at 25 °C (lit.)
• functional group: carboxylic acid
• SMILES string: CC(CC(O)=O)C=C
• InChI: 1S/C6H10O2/c1-3-5(2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
• InChI key: QNPZXLANENFTFK-UHFFFAOYSA-N

Description

General description

3-Methyl-4-pentenoic acid can be synthesized from crotyl acetate via Claisen rearrangement.

Application

3-Methyl-4-pentenoic acid may be used to synthesize:

• trans- and cis-5-phenylseleno-3-methyl-4-pentanolides
• trans- and cis-5-iodo-3-methyl-4-pentanolides
• 3-methyl-4-pentene-1-ol

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 199.9 °F - closed cup
• flash_point_c: 93.3 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter