MW 500000 for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | 504757983 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757983 |
| 정식 스마일 | CCCOC(=O)C1=CC=C(C=C1)C |
| IUPAC Name | propyl 4-methylbenzoate |
| InChIKey | LRNBWFXCDULFQF-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| 이성체 SMILES | CCCOC(=O)C1=CC=C(C=C1)C |
| WGK 독일 | 3 |
| RTECS | HH9250000 |
| Reaxy-Rn | 1944254 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1944254&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 |
| 분류 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzoyl derivatives Toluenes Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Toluene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 A2614728 | Certificate of Analysis | Jan 15, 2026 | D347531 |
| B23091136 | Certificate of Analysis | Nov 11, 2022 | D347531 |
| B23091200 | Certificate of Analysis | Nov 11, 2022 | D347531 |
| B23091201 | Certificate of Analysis | Nov 11, 2022 | D347531 |
| B23091248 | Certificate of Analysis | Nov 11, 2022 | D347531 |
| D2418074 | Certificate of Analysis | Nov 11, 2022 | D347531 |
| 용해성 | Soluble in water. |
|---|---|
| 감도 | Moisture sensitive |
| 특정 회전[α] | α20/D 145°±5° |
| 분자량 | 178.230 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.099 Da |
| Monoisotopic Mass | 178.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
