193097

trans-3-Hexenoic acid

97%

• Synonym(s): (3E)-3-Hexenoic acid, (3E)-Hex-3-enoic acid, (E)-3-Hexenoic acid, (E)-Hex-3-enoic acid, 3(E)-Hexenoic acid
• Linear Formula: C₂H₅CH=CHCH₂CO₂H
• CAS Number: 1577-18-0
• Molecular Weight: 114.14
• EC Number: 216-417-8
• MDL number: MFCD00002786
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851580
• NACRES: NA.22

Properties

• vapor density: >1 (vs air)
• Quality Level: 100
• Assay: 97%
• form: liquid
• refractive index: n20/D 1.44 (lit.)
• bp: 118-119 °C/22 mmHg (lit.)
• mp: 11-12 °C (lit.)
• density: 0.963 g/mL at 25 °C (lit.)
• functional group: carboxylic acid
• SMILES string: CC\C=C\CC(O)=O
• InChI: 1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
• InChI key: XXHDAWYDNSXJQM-ONEGZZNKSA-N

Description

Application

trans-3-Hexenoic acid was used in the preparation of trans-3-hexen-1-ol, starting reagent for the synthesis of endo-brevicomin.

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): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves