≥99% 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 | CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)C=O)C |
|---|---|
| IUPAC Name | 2-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde |
| InChIKey | OOUSVDAPSBFSBR-UHFFFAOYSA-N |
| INCHI | 1S/C15H17ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3 |
| Isomeric SMILES | CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)C=O)C |
| PubChem CID | 87279414 |
| Molecular Weight | 248.75 |
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 | Phenylpropanoids and polyketides |
| Class | Cinnamaldehydes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamaldehydes |
| Alternative Parents | Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamaldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. |
| External Descriptors | Not available |
| Molecular Weight | 248.750 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 248.097 Da |
| Monoisotopic Mass | 248.097 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 322.000 |
| 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 |
![4'-Chloro-5，5-diMethyl-3，4，5，6-tetrahydro-[1，1'-biphenyl]-2-carbaldehyde - ≥99% CAS No(1228837-05-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/7/C735115.jpg)