≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
3,5,5-Trimethylhexanal is an aliphatic aldehyde mainly used as an internal standard to quantify the volatile aldehydes in the root tissues of plants
| Canonical Smiles | CC(CC=O)CC(C)(C)C |
|---|---|
| IUPAC Name | 3,5,5-trimethylhexanal |
| InChIKey | WTPYRCJDOZVZON-UHFFFAOYSA-N |
| INCHI | 1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3 |
| Isomeric SMILES | CC(CC=O)CC(C)(C)C |
| WGK Germany | 1 |
| RTECS | MN7820000 |
| PubChem CID | 21574 |
| Molecular Weight | 142.24 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Medium-chain aldehydes |
| Alternative Parents | Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. |
| 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 |
|---|---|---|---|
 H2231787 | Certificate of Analysis | Mar 10, 2026 | T113592 |
| H2231866 | Certificate of Analysis | Mar 10, 2026 | T113592 |
| H2518098 | Certificate of Analysis | Aug 22, 2025 | T113592 |
| F2312906 | Certificate of Analysis | Mar 04, 2025 | T113592 |
| H2231884 | Certificate of Analysis | Jun 20, 2024 | T113592 |
| H2119325 | Certificate of Analysis | May 11, 2023 | T113592 |
| D2113213 | Certificate of Analysis | Jan 13, 2023 | T113592 |
| D2113218 | Certificate of Analysis | Jan 13, 2023 | T113592 |
| Sensitivity | air sensitive |
|---|---|
| Flash Point(°F) | 93.2 °F |
| Flash Point(°C) | 46 °C |
| Boil Point(°C) | 167°C |
| Molecular Weight | 142.240 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 142.136 Da |
| Monoisotopic Mass | 142.136 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 99.800 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
