2,4-Hexadienal, 2-((1R)-1-hydroxy-2-oxopropyl)-, (2E,4E)-

Base Information

• Chemical Name: 2,4-Hexadienal, 2-((1R)-1-hydroxy-2-oxopropyl)-, (2E,4E)-
• CAS No.: 69962-81-8
• Molecular Formula: C9H12O3
• Molecular Weight: 168.1898
• NSC Number: 314639
• UNII: JX3K5WP5PN
• Wikidata: Q77280870
• Metabolomics Workbench ID: 115246
• Mol file: 69962-81-8.mol

Synonyms:Avellaneol;69962-81-8;JX3K5WP5PN;NSC-314639;2,4-Hexadienal, 2-((1R)-1-hydroxy-2-oxopropyl)-, (2E,4E)-;(+) Avellaneol;(+)-Avellaneol;NSC314639;(+)-(R)-Avellaneol;UNII-JX3K5WP5PN;NSC 314639;(2E,4E)-2-[(R)-1-Hydroxy-2-oxopropyl]-2,4-hexadienal;(2E,4E)-2-[(1R)-1-Hydroxy-2-oxopropyl]-2,4-hexadienal

Chemical Property of 2,4-Hexadienal, 2-((1R)-1-hydroxy-2-oxopropyl)-, (2E,4E)-

Chemical Property:

• Vapor Pressure: 4.61E-06mmHg at 25°C
• Boiling Point: 343.2°Cat760mmHg
• Flash Point: 175.5°C
• PSA: 54.37000
• Density: 1.075g/cm³
• LogP: 0.63770
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=C(C=O)C(C(=O)C)O
• Isomeric SMILES: C/C=C/C=C(/C=O)\[C@H](C(=O)C)O