≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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 | 488184196 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184196 |
| Canonical Smiles | CC(C)(C)C(=O)OC |
| IUPAC Name | methyl 2,2-dimethylpropanoate |
| InChIKey | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3 |
| Isomeric SMILES | CC(C)(C)C(=O)OC |
| WGK Germany | 1 |
| Molecular Weight | 116.16 |
| Beilstein | 1744140 |
| Reaxy-Rn | 1744141 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744141&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters |
| Direct Parent | Methyl esters |
| Alternative Parents | Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Methyl ester - Monocarboxylic acid or derivatives - 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 methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. |
| 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 |
|---|---|---|---|
 G1802112 | Certificate of Analysis | Feb 05, 2026 | M157979 |
| K1717076 | Certificate of Analysis | Sep 24, 2025 | M157979 |
| H2513083 | Certificate of Analysis | Aug 28, 2025 | M157979 |
| I2108040 | Certificate of Analysis | Jun 11, 2025 | M157979 |
| A2306625 | Certificate of Analysis | Dec 14, 2022 | M157979 |
| A2306626 | Certificate of Analysis | Dec 14, 2022 | M157979 |
| A2306705 | Certificate of Analysis | Dec 14, 2022 | M157979 |
| A2306706 | Certificate of Analysis | Dec 14, 2022 | M157979 |
| Solubility | Insoluble in water; Soluble in Ether,Alcohol |
|---|---|
| Refractive Index | 1.39 |
| Flash Point(°F) | 44.6 °F |
| Flash Point(°C) | 7 °C |
| Boil Point(°C) | 102 °C |
| Molecular Weight | 116.160 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.084 Da |
| Monoisotopic Mass | 116.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 89.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yaqi Yang, Jiejun Li, Zhiwang Luo, Xingnian Li, Jiayi Zou, Chunyan Li, Chao Chen, Yixi Xie, Pengcheng Zhao, Junjie Fei. (2023) 1D-ordered mesoporous corncob-like Mo2C carbon nanotubes loaded with FeMnO3 hollow porous nanospheres as an efficient electrochemical sensing platform for rutin detection. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2023.134366] |
| 2. Wuyu Wang, Xuelai Zhao, Yanyan Cui, Xinghua Zhang, Lungang Chen, Qi Zhang, Longlong Ma. (2025) Development of Jet Fuel Components with Ultralow Freezing Points from Biomass-Derived Compounds via Claisen Condensation. ENERGY & FUELS, [PMID:] [10.1021/acs.energyfuels.5c03263] |
