≥94% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763755 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763755 |
| Canonical Smiles | CC(=CCCC(=CC(=O)OC)C)C |
| IUPAC Name | methyl (2E)-3,7-dimethylocta-2,6-dienoate |
| InChIKey | ACOBBFVLNKYODD-CSKARUKUSA-N |
| INCHI | 1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+ |
| Isomeric SMILES | CC(=CCC/C(=C/C(=O)OC)/C)C |
| Molecular Weight | 182.26 |
| Reaxy-Rn | 1769324 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769324&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 | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acyclic monoterpenoids |
| Alternative Parents | Fatty acid esters Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyclic monoterpenoid - Fatty acid ester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. |
| 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 |
|---|---|---|---|
 B2429405 | Certificate of Analysis | Jan 16, 2024 | M333537 |
| B2429406 | Certificate of Analysis | Jan 16, 2024 | M333537 |
| B2429407 | Certificate of Analysis | Jan 16, 2024 | M333537 |
| B2429408 | Certificate of Analysis | Jan 16, 2024 | M333537 |
| C2203326 | Certificate of Analysis | Feb 19, 2022 | M333537 |
| Refractive Index | 1.4690 |
|---|---|
| Flash Point(°F) | 210°F |
| Flash Point(°C) | 99℃ |
| Boil Point(°C) | 70℃ |
| Molecular Weight | 182.260 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 182.131 Da |
| Monoisotopic Mass | 182.131 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 220.000 |
| 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 |
| 1. Yujie Xu, Yaqin Liu, Jihong Yang, Hui Wang, Hanchen Zhou, Pandeng Lei. (2023) Manufacturing process differences give Keemun black teas their distinctive aromas. Food Chemistry-X, [PMID:37780253] [10.1016/j.fochx.2023.100865] |
| 2. Jian Ouyang, Ronggang Jiang, Huimin An, Xingchang Ou, Jing Wang, He Xie, Wenjie Fu, Jing Zhang, Hongyu Chen, Qi Liu, Juan Li, Haitao Wen, Ligui Xiong, Jian-an Huang, Zhonghua Liu. (2025) Decoding the specific minty-like aroma of ‘Rucheng baimaocha’ (camellia pubescens) black tea. Food Chemistry-X, [PMID:39995401] [10.1016/j.fochx.2025.102253] |
