(3S)-3,7-dimethylocta-1,6-diene

Base Information

• Chemical Name: (3S)-3,7-dimethylocta-1,6-diene
• CAS No.: 10281-55-7
• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.253
• European Community (EC) Number: 663-421-4
• UNII: 9DPF63886L
• DSSTox Substance ID: DTXSID6047236
• Nikkaji Number: J63.954K
• Wikidata: Q27162245
• Metabolomics Workbench ID: 130616
• ChEMBL ID: CHEMBL3183521
• Mol file: 10281-55-7.mol

Synonyms:beta-citronellene;citronellene

Chemical Property of (3S)-3,7-dimethylocta-1,6-diene

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 138.140850574
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCC=C(C)C)C=C
• Isomeric SMILES: C[C@@H](CCC=C(C)C)C=C