≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Temperatura ambiente 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.
o ácido 3-metilvalérico (ácido 3-metilpentanóico) foi utilizado na síntese do 3-metil-1-pentanol.
| Pubchem Sid | 488180554 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180554 |
| Sorrisos canónicos | CCC(C)CC(=O)O |
| IUPAC Name | 3-methylpentanoic acid |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| SMILES isoméricas | CCC(C)CC(=O)O |
| WGK Alemanha | 3 |
| CAS alternativo | 16958-25-1 |
| Número UN | 3265 |
| Peso molecular | 116.16 |
| Beilstein | 2331 |
| Reaxy-Rn | 1720696 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720696&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 |
| Classe | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Branched fatty acids |
| Direct Parent | Methyl-branched fatty acids |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Methyl-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 |
| Descrição | This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. |
| External Descriptors | Branched fatty acids |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 A2207794 | Certificate of Analysis | Oct 13, 2025 | M109883 |
| A2207844 | Certificate of Analysis | Oct 13, 2025 | M109883 |
| A2207845 | Certificate of Analysis | Oct 13, 2025 | M109883 |
| A2207846 | Certificate of Analysis | Oct 13, 2025 | M109883 |
| K2124550 | Certificate of Analysis | Sep 08, 2025 | M109883 |
| A2516163 | Certificate of Analysis | Jan 21, 2025 | M109883 |
| K2020144 | Certificate of Analysis | Sep 12, 2024 | M109883 |
| K2020143 | Certificate of Analysis | Sep 12, 2024 | M109883 |
| I1825138 | Certificate of Analysis | Jul 21, 2022 | M109883 |
| A2516162 | Certificate of Analysis | Dec 11, 2021 | M109883 |
| C2623164 | Certificate of Analysis | Dec 11, 2021 | M109883 |
| Índice de refração | 1.416 |
|---|---|
| Ponto de inflamação (°F) | 185 °F |
| Ponto de inflamação (°C) | 85 °C |
| Ponto de ebulição (°C) | 196-198°C |
| Ponto de fusão (°C) | -42°C |
| Peso molecular | 116.160 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.084 Da |
| Monoisotopic Mass | 116.084 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 78.600 |
| 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. Menghan Li, Rongrong Zhu, Xiaoxia Song, Zhijun Wang, Hongbo Weng, Jianying Liang. (2020) A sensitive method for the quantification of short-chain fatty acids by benzyl chloroformate derivatization combined with GC-MS. ANALYST, 145 (7): (2692-2700). [PMID:32073098] [10.1039/D0AN00005A] |
