18888

Methyl 2,4-pentadienoate

mixture of cis and trans, ≥97.0% (GC)

• Synonym(s): 1,3-Butadiene-1-carboxylic acid methyl ester, 2,4-Pentadienoic acid methyl ester, Methyl 1,3-butadiene-1-carboxylate
• Linear Formula: CH₂CHCHCHCOOCH₃
• CAS Number: 1515-75-9
• Molecular Weight: 112.13
• Beilstein/REAXYS Number: 1743332
• MDL number: MFCD00042847
• UNSPSC Code: 12352100
• PubChem Substance ID: 57647766
• NACRES: NA.22

Properties

• assay: ≥97.0% (GC)
• form: liquid
• contains: ~0.5% 2,6-di-tert.-butyl-4-methylphenol as stabilizer
• refractive index: n20/D 1.484
• bp: 50-52 °C/20 mmHg (lit.)
• density: 0.964 g/mL at 20 °C
• storage temp.: −20°C
• SMILES string: COC(=O)C=CC=C
• InChI: 1S/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3
• InChI key: LJDLNNZTQJVBNJ-UHFFFAOYSA-N

Description

General description

Methyl 2,4-pentadienoate undergoes Aza-Morita-Baylis-Hillman reaction with aldimines in DMF in the presence of 3-hydroxyquinuclidine.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335,H412
• pcodes: P210 - P233 - P240 - P273 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Aquatic Chronic 3 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 98.6 °F - closed cup
• flash_point_c: 37 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter