≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC=CC1=C(C=C(C(=C1)C)OCCCC(C)(C)C(=O)O)C |
|---|---|
| IUPAC Name | 5-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenoxy]-2,2-dimethylpentanoic acid |
| InChIKey | ZWBXHPOXWIJOJR-SOFGYWHQSA-N |
| INCHI | 1S/C18H26O3/c1-6-8-15-11-14(3)16(12-13(15)2)21-10-7-9-18(4,5)17(19)20/h6,8,11-12H,7,9-10H2,1-5H3,(H,19,20)/b8-6+ |
| Isomeric SMILES | C/C=C/C1=C(C=C(C(=C1)C)OCCCC(C)(C)C(=O)O)C |
| PubChem CID | 10214830 |
| Molecular Weight | 290.4 |
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 | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | p-Xylenes Styrenes Phenoxy compounds Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - P-xylene - Xylene - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 290.400 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 290.188 Da |
| Monoisotopic Mass | 290.188 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
