analytical standard, ≥95.0%(GC) Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC1=CC2=C(C=CC2=C(C=C1)C)C |
|---|---|
| IUPAC Name | 7-ethyl-1,4-dimethylazulene |
| InChIKey | GXGJIOMUZAGVEH-UHFFFAOYSA-N |
| INCHI | 1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3 |
| Isomeric SMILES | CCC1=CC2=C(C=CC2=C(C=C1)C)C |
| Alternate CAS | 529-05-5 |
| PubChem CID | 10719 |
| MeSH Entry Terms | 7-ethyl-1,4-dimethyl-azulene;7-ethyl-1,4-dimethylazulene;chamazulene |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Sesquiterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Guaianes |
| Alternative Parents | Azulenes Aromatic hydrocarbons Polycyclic hydrocarbons |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Guaiane sesquiterpenoid - Azulene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. |
| External Descriptors | Guaiane sesquiterpenoids |
| Molecular Weight | 184.280 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 184.125 Da |
| Monoisotopic Mass | 184.125 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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