(S)-(-)-Citronellic acid
Product Specifications
- CAS
- 2111-53-7
- Molecular Formula
- C10H18O2
- Appearance
- colourless to pale-yellow liquid
- Synonym(s)
- (S)-(-)-citronellic; (3S)-3,7-Dimethyl-6-octenoic acid; S-3,7-dimethyloct-6-enoic acid; 6-Octenoic acid, 3,7-dimethyl-, (3S)-; (3S)-3,7-dimethyloct-6-enoicacid
- Shipping
- cold-chain
- Storage
- 2-8°C
- SMILES
- C[C@@H](CCC=C(C)C)CC(=O)O
- InChI
- InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/t9-/m0/s1
Product Information
(S)-(-)-Citronellic acid identifies CAS 2111-53-7 and molecular formula C10H18O2. PubChem maps this CAS uniquely to CID 6999955 and lists the same stereochemical title. The site name is also present in the official synonym set. PubChem’s systematic designation, (3S)-3,7-dimethyloct-6-enoic acid, confirms that the S configuration belongs at carbon 3 of the numbered acid chain.
Stereochemical SMILES C[C@@H](CCC=C(C)C)CC(=O)O includes the chiral-atom marker and preserves the terminal carboxylic acid plus the internal carbon-carbon double bond. The exact InChI contains the layer /t9-/m0/s1, and PubChem reports InChIKey GJWSUKYXUMVMGX-VIFPVBQESA-N. Those stereo-aware fields match the page values. A connectivity-only string would omit configuration, so it is not sufficient by itself for this enantiomer-specific record.
An identity check for CAS 2111-53-7 should keep the (S) prefix and compare any submitted structure with PubChem CID 6999955. The chiral center, acid-chain numbering, and alkene connection must agree with the displayed SMILES and stereochemical InChI. InChIKey GJWSUKYXUMVMGX-VIFPVBQESA-N supplies a compact cross-reference that includes the stereochemical layer. The formula remains unchanged between enantiomers, which is why the stereo fields are decisive here. This page does not treat an unspecified or opposite enantiomer as interchangeable with the verified identity.