| Pubchem Sid | 504759173 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759173 |
| Canonical Smiles | CCCOC1=CC=CC=C1C(=O)O |
| IUPAC Name | 2-propoxybenzoic acid |
| InChIKey | OXOWWPXTTOCKKU-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| Isomeric SMILES | CCCOC1=CC=CC=C1C(=O)O |
| PubChem CID | 539215 |
| Molecular Weight | 180.2 |
| Beilstein | 10(3)98 |
| Reaxy-Rn | 3089998 |
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 acids |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - 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 acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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 |
|---|---|---|---|
 H2430570 | Certificate of Analysis | Jun 09, 2026 | P132960 |
| H2430571 | Certificate of Analysis | Jun 09, 2026 | P132960 |
| H2430572 | Certificate of Analysis | Jun 09, 2026 | P132960 |
| E1722149 | Certificate of Analysis | May 21, 2026 | P132960 |
| B2528594 | Certificate of Analysis | Jun 18, 2024 | P132960 |
| C2514688 | Certificate of Analysis | Jun 18, 2024 | P132960 |
| C2525852 | Certificate of Analysis | Jun 18, 2024 | P132960 |
| K2125244 | Certificate of Analysis | Sep 11, 2023 | P132960 |
| K2125296 | Certificate of Analysis | Sep 11, 2023 | P132960 |
| Solubility | Soluble in methanol |
|---|---|
| Boil Point(°C) | 207°C/40mmHg |
| Melt Point(°C) | 36-40°C |
| Molecular Weight | 180.200 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 180.079 Da |
| Monoisotopic Mass | 180.079 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| 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 |
