≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | 488188782 |
|---|---|
| Canonical Smiles | CC(C)C1=CC=C(C=C1)C(=O)OC |
| IUPAC Name | methyl 4-propan-2-ylbenzoate |
| InChIKey | IPIVTJSCIHXKOE-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3 |
| Isomeric SMILES | CC(C)C1=CC=C(C=C1)C(=O)OC |
| Molecular Weight | 178.23 |
| Reaxy-Rn | 1866903 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866903&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 | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Monocyclic monoterpenoids Benzoic acid esters Phenylpropanes Cumenes Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-cymene - Aromatic monoterpenoid - Benzoate ester - Monocyclic monoterpenoid - Benzoic acid or derivatives - Cumene - Phenylpropane - Benzoyl - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| 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 |
|---|---|---|---|
 B2316200 | Certificate of Analysis | Nov 10, 2025 | M404763 |
| B2316199 | Certificate of Analysis | Nov 10, 2025 | M404763 |
| B2316198 | Certificate of Analysis | Nov 10, 2025 | M404763 |
| B2316197 | Certificate of Analysis | Nov 10, 2025 | M404763 |
| B2316196 | Certificate of Analysis | Nov 10, 2025 | M404763 |
| B2316189 | Certificate of Analysis | Oct 31, 2025 | M404763 |
| C2524025 | Certificate of Analysis | Sep 15, 2022 | M404763 |
| Refractive Index | 1.51 |
|---|---|
| Flash Point(°C) | 107 °C |
| Boil Point(°C) | 126 °C/14 mmHg |
| Molecular Weight | 178.230 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| 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 | 167.000 |
| 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 |
