77047

3-Pentenoic acid

is mainly present in the trans-form (≥90% GC), ≥95.0% (sum of isomers, GC)

• Linear Formula: CH₃CH=CHCH₂COOH
• CAS Number: 5204-64-8
• Molecular Weight: 100.12
• Beilstein/REAXYS Number: 1743187
• MDL number: MFCD00063291
• UNSPSC Code: 12352100
• PubChem Substance ID: 57652675
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: ≥95.0% (sum of isomers, GC)
• form: liquid
• quality: is mainly present in the trans-form (≥90% GC)
• refractive index: n20/D 1.435
• bp: 192-194 °C (lit.)
• density: 0.986 g/mL at 20 °C (lit.)
• functional group: carboxylic acid
• SMILES string: C\C=C\CC(O)=O
• InChI: 1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
• InChI key: UIUWNILCHFBLEQ-NSCUHMNNSA-N

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 203.0 °F - closed cup
• flash_point_c: 95 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter