3-(benzyloxy)propanoic acid is a reagent used in hydroxypropionyl alkylation.
| Pubchem Sid | 504767911 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767911 |
| Canonical Smiles | C1=CC=C(C=C1)COCCC(=O)O |
| IUPAC Name | 3-phenylmethoxypropanoic acid |
| InChIKey | OZGUGVRKYBSDBN-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O3/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12) |
| Isomeric SMILES | C1=CC=C(C=C1)COCCC(=O)O |
| Molecular Weight | 180.2 |
| Reaxy-Rn | 2264020 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2264020&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 | Benzylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylethers |
| Alternative Parents | Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylether - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - 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 benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
| 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 |
|---|---|---|---|
 F2511147 | Certificate of Analysis | Jun 24, 2025 | B340507 |
| H2206509 | Certificate of Analysis | May 12, 2025 | B340507 |
| H2206603 | Certificate of Analysis | May 12, 2025 | B340507 |
| H2206604 | Certificate of Analysis | May 12, 2025 | B340507 |
| H2206605 | Certificate of Analysis | May 12, 2025 | B340507 |
| Refractive Index | n20D1.53 (Predicted) |
|---|---|
| Boil Point(°C) | ~313.9° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 92.21° C (Predicted) |
| Molecular Weight | 180.200 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| 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 | 150.000 |
| 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 |
