2,6-Heptadienal, 2,4-dimethyl-, (2E)-

Base Information

• Chemical Name: 2,6-Heptadienal, 2,4-dimethyl-, (2E)-
• CAS No.: 80192-48-9
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID70888574
• Nikkaji Number: J1.587.666B,J236.642H
• Mol file: 80192-48-9.mol

Synonyms:80192-48-9;(2E)-2,4-dimethylhepta-2,6-dienal;2,6-Heptadienal, 2,4-dimethyl-, (2E)-;2,4-Dimethyl-2,6-heptadienal;2,6-Heptadienal, 2,4-dimethyl-, (E)-;(2E)-2,4-Dimethyl-2,6-heptadienal;2,6-Heptadienal, 2,4-dimethyl-;SCHEMBL347737;MIHSPYMZXYONJN-RMKNXTFCSA-;DTXSID70888574;MIHSPYMZXYONJN-RMKNXTFCSA-N;AKOS006283053;InChI=1/C9H14O/c1-4-5-8(2)6-9(3)7-10/h4,6-8H,1,5H2,2-3H3/b9-6+

Chemical Property of 2,6-Heptadienal, 2,4-dimethyl-, (2E)-

Chemical Property:

• Vapor Pressure: 0.466mmHg at 25°C
• Boiling Point: 193.4°Cat760mmHg
• Flash Point: 64.4°C
• PSA: 17.07000
• Density: 0.846g/cm³
• LogP: 2.34380
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=C)C=C(C)C=O
• Isomeric SMILES: CC(CC=C)/C=C(\C)/C=O