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Basic Description
| Synonyms | DTXSID6029254 | o-fluorophenylboronic acid | (4-Ethylphenyl)Boranediol | Isononylic acid | KYOWANOIC N | NCGC00257635-01 | DTXCID409254 | T0630 | Q15725607 | AKOS009100463 | EINECS 221-975-0 | MFCD01114696 | MFCD00020507 | EINECS 248-092-3 | LMFA01020153 |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acids and conjugates
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 Monocarboxylic 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 - Monocarboxylic 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 | Branched fatty acids |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504756050 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756050 |
| IUPAC Name | 3,5,5-trimethylhexanoic acid |
| INCHI | InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11) |
| InChIKey | OILUAKBAMVLXGF-UHFFFAOYSA-N |
| Smiles | CC(CC(=O)O)CC(C)(C)C |
| Isomeric SMILES | CC(CC(=O)O)CC(C)(C)C |
| PubChem CID | 90960 |
| Molecular Weight | 158.243 |
| Beilstein | 2(3)833 |
| Reaxy-Rn | 1749506 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2231387 |
Certificate of Analysis | Jun 10, 2025 | T106595 |
| H2231399 |
Certificate of Analysis | Jun 10, 2025 | T106595 |
| H2231400 |
Certificate of Analysis | Jun 10, 2025 | T106595 |
| H2231332 |
Certificate of Analysis | Jun 10, 2025 | T106595 |
| E1916032 |
Certificate of Analysis | Dec 19, 2024 | T106595 |
| K2108691 |
Certificate of Analysis | Aug 20, 2024 | T106595 |
| K2108665 |
Certificate of Analysis | Aug 20, 2024 | T106595 |
| F2116039 |
Certificate of Analysis | Mar 21, 2024 | T106595 |
| G1515033 |
Certificate of Analysis | Jan 22, 2024 | T106595 |
| G1509037 |
Certificate of Analysis | Jan 22, 2024 | T106595 |
| C2201033 |
Certificate of Analysis | Mar 03, 2022 | T106595 |
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Chemical and Physical Properties
| Solubility | Solubility in water: Practically insoluble |
|---|---|
| Refractive Index | 1.4278-1.4298 |
| Flash Point(°F) | 125℃ |
| Flash Point(°C) | 125℃ |
| Boil Point(°C) | 120°C |
| Melt Point(°C) | -70°C |
| Molecular Weight | 158.240 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 158.131 Da |
| Monoisotopic Mass | 158.131 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| 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 |
Solution Calculators
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