≥95%(GC) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488190369 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190369 |
| Canonical Smiles | COC(=O)CC(=O)OCC1=CC=CC=C1 |
| IUPAC Name | 3-O-benzyl 1-O-methyl propanedioate |
| InChIKey | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O4/c1-14-10(12)7-11(13)15-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| Isomeric SMILES | COC(=O)CC(=O)OCC1=CC=CC=C1 |
| Molecular Weight | 208.21 |
| Beilstein | 2529986 |
| Reaxy-Rn | 2529986 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2529986&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Methyl esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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 |
|---|---|---|---|
 D1714115 | Certificate of Analysis | May 21, 2026 | B138944 |
| C2304320 | Certificate of Analysis | Dec 17, 2024 | B138944 |
| C2304326 | Certificate of Analysis | Dec 17, 2024 | B138944 |
| C2304329 | Certificate of Analysis | Dec 17, 2024 | B138944 |
| C2304328 | Certificate of Analysis | Dec 11, 2024 | B138944 |
| C2304324 | Certificate of Analysis | Dec 11, 2024 | B138944 |
| C2304319 | Certificate of Analysis | Dec 11, 2024 | B138944 |
| Solubility | Slightly soluble in water. |
|---|---|
| Refractive Index | 1.50 |
| Flash Point(°F) | 235°F |
| Flash Point(°C) | >113° |
| Boil Point(°C) | 125°/0.5mm |
| Molecular Weight | 208.210 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 208.074 Da |
| Monoisotopic Mass | 208.074 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
