2-Methyl-2-octenal

Base Information

• Chemical Name: 2-Methyl-2-octenal
• CAS No.: 73757-27-4
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• European Community (EC) Number: 256-386-8
• UNII: 964SLD7H63
• DSSTox Substance ID: DTXSID30885903
• Nikkaji Number: J1.539.995C,J319.981I
• Wikidata: Q27271860
• Mol file: 73757-27-4.mol

Synonyms:2-Methyl-2-octenal;(E)-2-Methyloct-2-enal;FEMA No. 3711;2-Octenal, 2-methyl-;2-Octenal, 2-methyl-, (2E)-;73757-27-4;2-Methyl-2-octenal, (2E)-;2-Octenal, 2-methyl-, (E)-;49576-57-0;(E)-2-Methyl-2-octenal;(2E)-2-methyl-2-octenal;UNII-964SLD7H63;964SLD7H63;EINECS 256-386-8;(E)-2-methyl-oct-2-enal;SCHEMBL1783716;DTXSID30885903;TRANS-2-METHYL-2-OCTENAL;Q27271860

Chemical Property of 2-Methyl-2-octenal

Chemical Property:

• Vapor Pressure: 0.271mmHg at 25°C
• Melting Point: -28°C (estimate)
• Refractive Index: 1.4540
• Boiling Point: 203.9°C at 760 mmHg
• Flash Point: 59.1°C
• PSA: 17.07000
• Density: 0.835g/cm³
• LogP: 2.71190
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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