≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488195437 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195437 |
| Canonical Smiles | CC1=CCCC(C1C=CC(C)O)(C)C |
| IUPAC Name | (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol |
| InChIKey | PWDOJWCZWKWKSE-BQYQJAHWSA-N |
| INCHI | 1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+ |
| Isomeric SMILES | CC1=CCCC(C1/C=C/C(C)O)(C)C |
| Molecular Weight | 194.31 |
| Beilstein | 2327829 |
| Reaxy-Rn | 2327828 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2327828&ln= |
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 | Sesquiterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sesquiterpenoids |
| Alternative Parents | Secondary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclofarsesane sesquiterpenoid - Megastigmane sesquiterpenoid - Sesquiterpenoid - Ionone derivative - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
| 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 |
|---|---|---|---|
 C2302261 | Certificate of Analysis | Sep 01, 2026 | B135806 |
| C2302304 | Certificate of Analysis | Sep 01, 2026 | B135806 |
| C2302306 | Certificate of Analysis | Sep 01, 2026 | B135806 |
| C2302323 | Certificate of Analysis | Sep 01, 2026 | B135806 |
| E2114197 | Certificate of Analysis | Aug 03, 2026 | B135806 |
| D2518291 | Certificate of Analysis | Apr 02, 2025 | B135806 |
| D2518292 | Certificate of Analysis | Apr 02, 2025 | B135806 |
| E2114198 | Certificate of Analysis | Feb 14, 2023 | B135806 |
| Sensitivity | Air sensitive |
|---|---|
| x_refractive_index | 1.491 |
| x_boil_point_char | 127 °C/15 mmHg |
| Molecular Weight | 194.310 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 194.167 Da |
| Monoisotopic Mass | 194.167 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Changyue Deng, Tao Sheng, Hui Zhu, Yujie Wu, Sanxu Shi, Yibin Zhou. (2025) Large-ring cyclodextrins for efficient encapsulation of diverse aroma molecules: Exploring mechanism of inclusion complex formation and stabilization. FOOD CHEMISTRY, [PMID:40974646] [10.1016/j.foodchem.2025.146441] |
