| Pubchem Sid | 488185907 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185907 |
| Canonical Smiles | CCOC(=O)CC1(OCCO1)C |
| IUPAC Name | ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate |
| InChIKey | XWEOGMYZFCHQNT-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)CC1(OCCO1)C |
| RTECS | JH6762500 |
| Molecular Weight | 174.2 |
| Reaxy-Rn | 130164 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=130164&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 |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Ketals 1,3-dioxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Ketal - Fatty acid ester - Meta-dioxolane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| 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 |
|---|---|---|---|
 L2431098 | Certificate of Analysis | Jul 10, 2024 | E156168 |
| A2510631 | Certificate of Analysis | Jul 10, 2024 | E156168 |
| A2510635 | Certificate of Analysis | Jul 10, 2024 | E156168 |
| A2510636 | Certificate of Analysis | Jul 10, 2024 | E156168 |
| A2510639 | Certificate of Analysis | Jul 10, 2024 | E156168 |
| B2310027 | Certificate of Analysis | Nov 30, 2022 | E156168 |
| B2310028 | Certificate of Analysis | Nov 30, 2022 | E156168 |
| B2310029 | Certificate of Analysis | Nov 30, 2022 | E156168 |
| B2310030 | Certificate of Analysis | Nov 30, 2022 | E156168 |
| B2310032 | Certificate of Analysis | Nov 30, 2022 | E156168 |
| B2310033 | Certificate of Analysis | Nov 30, 2022 | E156168 |
| Refractive Index | 1.43 |
|---|---|
| Flash Point(°C) | 81 °C |
| Boil Point(°C) | 98°C/12mmHg(lit.) |
| Molecular Weight | 174.190 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 174.089 Da |
| Monoisotopic Mass | 174.089 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 |
