≥95%(GC) 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186736 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186736 |
| Canonical Smiles | CC1=CC(=O)C2CC1C2(C)C |
| IUPAC Name | (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one |
| InChIKey | DCSCXTJOXBUFGB-JGVFFNPUSA-N |
| INCHI | 1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1 |
| Isomeric SMILES | CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C |
| WGK Germany | 3 |
| PubChem CID | 92874 |
| Molecular Weight | 150.22 |
| Reaxy-Rn | 1562790 |
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 | Bicyclic monoterpenoids |
| Alternative Parents | Cyclohexenones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Pinane monoterpenoid - Bicyclic monoterpenoid - Cyclohexenone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
| External Descriptors | 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2222485 | Certificate of Analysis | Jul 03, 2026 | V162981 |
| I2222486 | Certificate of Analysis | Jul 03, 2026 | V162981 |
| G2525524 | Certificate of Analysis | Jul 19, 2025 | V162981 |
| G2525525 | Certificate of Analysis | Jul 19, 2025 | V162981 |
| G2525526 | Certificate of Analysis | Jul 19, 2025 | V162981 |
| I2512038 | Certificate of Analysis | Jul 19, 2025 | V162981 |
| H2118309 | Certificate of Analysis | Jun 06, 2025 | V162981 |
| C2526726 | Certificate of Analysis | Jul 11, 2024 | V162981 |
| C2526725 | Certificate of Analysis | Jul 11, 2024 | V162981 |
| J2009071 | Certificate of Analysis | Jul 03, 2024 | V162981 |
| J2009072 | Certificate of Analysis | Jul 03, 2024 | V162981 |
| K2224783 | Certificate of Analysis | Oct 14, 2022 | V162981 |
| K2224784 | Certificate of Analysis | Oct 14, 2022 | V162981 |
| K2224786 | Certificate of Analysis | Oct 14, 2022 | V162981 |
| K2224787 | Certificate of Analysis | Oct 14, 2022 | V162981 |
| K2224788 | Certificate of Analysis | Oct 14, 2022 | V162981 |
| K2224794 | Certificate of Analysis | Oct 14, 2022 | V162981 |
| K2224795 | Certificate of Analysis | Oct 14, 2022 | V162981 |
| Sensitivity | Air sensitive |
|---|---|
| Refractive Index | 1.5 |
| Specific Rotation[α] | -150° to -250°(C=4, CHCl3) |
| Flash Point(°F) | 185 °F |
| Flash Point(°C) | 109°C |
| Boil Point(°C) | 227-228 °C |
| Molecular Weight | 150.220 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 150.104 Da |
| Monoisotopic Mass | 150.104 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
| 1. Hongyun Wang, Haijun Cheng, Fang Lai, Deyuan Xiong. (2022) CuAPO-5 as a Multiphase Catalyst for Synthesis of Verbenone from α-Pinene. Materials, 15 (22): (8097). [PMID:36431582] [10.3390/ma15228097] |
| 2. Qianhao Pan, Jiaxing Fang, Shiming Zhang, Yonglin He, Yapei Wang. (2022) Biorhythm paralleled release of pheromone by photothermal conversion for Long-term bark beetle control. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.135933] |
| 3. Zheng Chengyu, Zhou Qinan, Wang Zhenhe, Wang Jun. (2021) Behavioral responses of Platycladus orientalis plant volatiles to Phloeosinus aubei by GC-MS and HS-GC-IMS for discrimination of different invasive severity. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 413 (23): (5789-5798). [PMID:34322736] [10.1007/s00216-021-03556-5] |
| 4. Xiaoming Zeng, Hao He, Liejiang Yuan, Haizhi Wu, Cong Zhou. (2024) Determination of 24 Trace Aromatic Substances in Rosemary Hydrosol by Dispersed Liquid–Liquid Microextraction–Gas Chromatography. Processes, 12 (3): (498). [PMID:] [10.3390/pr12030498] |
| 5. Pengfei Yang, Lingqi Kong, Qiongbo Wang, Qiang Liu, Xiujin Duan, Chen Hu, Zhengbo Feng, Qi Yang, Huabo Jv. (2026) Analysis of volatile compounds in Aglaia odorata flower extracts with different possessing methods by HS-SPME-GC-MS and E-nose. Frontiers in Chemistry, [PMID:41867951] [10.3389/fchem.2026.1746408] |
