≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756427 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756427 |
| Canonical Smiles | CC(C)(C)C(CCC(=O)O)CC(=O)O |
| IUPAC Name | 3-tert-butylhexanedioic acid |
| InChIKey | LHSCNQRBIIDZCB-UHFFFAOYSA-N |
| INCHI | 1S/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14) |
| Isomeric SMILES | CC(C)(C)C(CCC(=O)O)CC(=O)O |
| PubChem CID | 98967 |
| Molecular Weight | 202.25 |
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 | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain fatty acids |
| Alternative Parents | Methyl-branched fatty acids Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain fatty acid - Methyl-branched fatty acid - Branched fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 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 |
|---|---|---|---|
 D2324237 | Certificate of Analysis | Feb 04, 2026 | T165557 |
| J2120144 | Certificate of Analysis | Aug 09, 2024 | T165557 |
| J2120145 | Certificate of Analysis | Aug 09, 2024 | T165557 |
| J2120146 | Certificate of Analysis | Aug 09, 2024 | T165557 |
| J2120147 | Certificate of Analysis | Aug 09, 2024 | T165557 |
| Molecular Weight | 202.250 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 202.121 Da |
| Monoisotopic Mass | 202.121 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| 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 |
| 1. Zhaolin Sun, Yuhua Wei, Shuangyi Ma, Yuchen Xu, Yuna Zhang, Changxian Li, Jinghan Zhang, Feifei Duan, Jianwei Jiao, Xiuying Duan. (2025) Zhuru extracts ameliorate lipid accumulation of MASLD via suppressing the mTORC1/SREBPs pathway. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:40617366] [10.1016/j.jep.2025.120246] |
