≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Pubchem Sid | 488188964 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188964 |
| Canonical Smiles | CC1CCC(C(C1)Cl)C(C)C |
| IUPAC Name | (1S,2R,4R)-2-chloro-4-methyl-1-propan-2-ylcyclohexane |
| InChIKey | OMLOJNNKKPNVKN-KXUCPTDWSA-N |
| INCHI | 1S/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1 |
| Isomeric SMILES | C[C@@H]1CC[C@H]([C@@H](C1)Cl)C(C)C |
| WGK Germany | 3 |
| PubChem CID | 244509 |
| Molecular Weight | 174.71 |
| Beilstein | 1902300 |
| Reaxy-Rn | 1902297 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Menthane monoterpenoids |
| Alternative Parents | Monocyclic monoterpenoids Cyclohexyl halides Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexyl halide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D23061733 | Certificate of Analysis | Feb 16, 2023 | M157917 |
| D23061736 | Certificate of Analysis | Feb 16, 2023 | M157917 |
| D23061737 | Certificate of Analysis | Feb 16, 2023 | M157917 |
| D23061743 | Certificate of Analysis | Feb 16, 2023 | M157917 |
| Refractive Index | [α]20/D −52.4°, neat |
|---|---|
| Specific Rotation[α] | 1.4634 |
| Flash Point(°F) | 172.4 °F |
| Flash Point(°C) | 78°C(lit.) |
| Boil Point(°C) | 101°C/25mmHg(lit.) |
| Melt Point(°C) | −20-−16.5 °C |
| Molecular Weight | 174.710 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.118 Da |
| Monoisotopic Mass | 174.118 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
