259276

2-Pentenoic acid

predominantly trans, 98%

• Synonym(s): trans-2-Pentenoic acid
• Linear Formula: C₂H₅CH=CHCO₂H
• CAS Number: 13991-37-2
• Molecular Weight: 100.12
• Beilstein: 1720312
• EC Number: 237-791-9
• MDL number: MFCD00002704
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855698
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: liquid
• impurities: 10% cis isomer (maximum)
• refractive index: n20/D 1.452 (lit.)
• bp: 106 °C/20 mmHg (lit.)
• mp: 9-11 °C (lit.)
• density: 0.99 g/mL at 25 °C (lit.)
• functional group: carboxylic acid
• SMILES string: [H]\C(CC)=C(\[H])C(O)=O
• InChI: 1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
• InChI key: YIYBQIKDCADOSF-ONEGZZNKSA-N

Description

Application

2-Pentenoic acid has been used in preparation of new nonsteroidal human androgen receptor (hAR) agonists from an hAR antagonist pharmacophore, 2(1H)-piperidino[3,2-g]quinolinone.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314
• Precautionary Statements: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 215.6 °F - closed cup
• Flash Point(C): 102 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves