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Basic Description
| Synonyms | AKOS008948190 | SCHEMBL6057220 | LRNBWFXCDULFQF-UHFFFAOYSA-N | Propyl 4-methylbenzoate # | Benzoic acid, 4-methyl-, propyl ester | NSC24768 | NSC-24768 | Z53835724 | Colextran | Propyl 4-methylbenzoate | Propyl4-methylbenzoate | DTXSID40864168 |
|---|---|
| Specifications & Purity | MW 500000 |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| 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 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 |
| 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 |
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Names and Identifiers
| Pubchem Sid | 504757983 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757983 |
| IUPAC Name | propyl 4-methylbenzoate |
| INCHI | InChI=1S/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | LRNBWFXCDULFQF-UHFFFAOYSA-N |
| Smiles | CCCOC(=O)C1=CC=C(C=C1)C |
| Isomeric SMILES | CCCOC(=O)C1=CC=C(C=C1)C |
| WGK Germany | 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2418074 |
Certificate of Analysis | Nov 11, 2022 | D347531 |
| B23091136 |
Certificate of Analysis | Nov 11, 2022 | D347531 |
| B23091200 |
Certificate of Analysis | Nov 11, 2022 | D347531 |
| B23091248 |
Certificate of Analysis | Nov 11, 2022 | D347531 |
| B23091201 |
Certificate of Analysis | Nov 11, 2022 | D347531 |
Chemical and Physical Properties
| Solubility | Soluble in water. |
|---|---|
| Sensitivity | Moisture sensitive |
| Specific Rotation[α] | α20/D 145°±5° |
| Molecular Weight | 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 |
Documents & Articles
DEAE-Dextran
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Solution Calculators
Reviews
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