≥99% 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 | 488181883 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181883 |
| Canonical Smiles | CC(C)OC(=O)C1=CC=CC=C1 |
| IUPAC Name | propan-2-yl benzoate |
| InChIKey | FEXQDZTYJVXMOS-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| Isomeric SMILES | CC(C)OC(=O)C1=CC=CC=C1 |
| RTECS | DH3150000 |
| Molecular Weight | 164.20 |
| Beilstein | 9(3)391 |
| Reaxy-Rn | 2044384 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044384&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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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 |
|---|---|---|---|
 E2627510 | Certificate of Analysis | May 15, 2026 | I102984 |
| E2627516 | Certificate of Analysis | May 15, 2026 | I102984 |
| E2627520 | Certificate of Analysis | May 15, 2026 | I102984 |
| E2627521 | Certificate of Analysis | May 15, 2026 | I102984 |
| L2524178 | Certificate of Analysis | Dec 25, 2025 | I102984 |
| B2218062 | Certificate of Analysis | Dec 10, 2025 | I102984 |
| B2218063 | Certificate of Analysis | Dec 10, 2025 | I102984 |
| K2120249 | Certificate of Analysis | Sep 04, 2025 | I102984 |
| K2505599 | Certificate of Analysis | Jul 15, 2024 | I102984 |
| L1912051 | Certificate of Analysis | Oct 19, 2023 | I102984 |
| A2213041 | Certificate of Analysis | Jan 18, 2022 | I102984 |
| Solubility | Insoluble in water; Soluble in Ether,Alcohol |
|---|---|
| Sensitivity | Moisture sensitive. |
| Refractive Index | 1.489 |
| Flash Point(°F) | 210.2℉ |
| Flash Point(°C) | 99℃ |
| Boil Point(°C) | 218°C |
| Melt Point(°C) | -26 °C |
| Molecular Weight | 164.200 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 164.084 Da |
| Monoisotopic Mass | 164.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 146.000 |
| 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 |
