6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-

Base Information

• Chemical Name: 6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-
• CAS No.: 56994-89-9
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• DSSTox Substance ID: DTXSID10471661
• Nikkaji Number: J66.859A

Synonyms:6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-;56994-89-9;METHYL (3S)-3,7-DIMETHYLOCT-6-ENOATE;(s)-methyl citronellate;(S)-(-)-methyl citronellate;DTXSID10471661;CHEBI:167342;ZFLPOPCZMXGUOJ-JTQLQIEISA-N;(S)-(-)-Citronellic acid, methyl ester

Chemical Property of 6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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