≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal 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 | 504766024 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766024 |
| Canonical Smiles | CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)CCC4=CC(=C(C(=C4)C)O)C(C)(C)C |
| IUPAC Name | [2-[3-[1-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate |
| InChIKey | CGRTZESQZZGAAU-UHFFFAOYSA-N |
| INCHI | 1S/C43H64O10/c1-27-17-29(19-31(35(27)46)39(3,4)5)13-15-33(44)48-21-41(9,10)37-50-23-43(24-51-37)25-52-38(53-26-43)42(11,12)22-49-34(45)16-14-30-18-28(2)36(47)32(20-30)40(6,7)8/h17-20,37-38,46-47H,13-16,21-26H2,1-12H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)CCC4=CC(=C(C(=C4)C)O)C(C)(C)C |
| PubChem CID | 11115306 |
| Molecular Weight | 740.98 |
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 | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Ortho cresols Toluenes Fatty acid esters Dicarboxylic acids and derivatives 1,3-dioxanes Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpropane - O-cresol - Fatty acid ester - Toluene - Phenol - Meta-dioxane - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| 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 |
|---|---|---|---|
 A2122019 | Certificate of Analysis | Nov 08, 2023 | T304936 |
| A2122022 | Certificate of Analysis | Nov 03, 2023 | T304936 |
| A2122021 | Certificate of Analysis | Nov 03, 2023 | T304936 |
| A2122020 | Certificate of Analysis | Nov 03, 2023 | T304936 |
| Solubility | Soluble in methanol. |
|---|---|
| Melt Point(°C) | 126℃ |
| Molecular Weight | 741.000 g/mol |
| XLogP3 | 8.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 16 |
| Exact Mass | 740.45 Da |
| Monoisotopic Mass | 740.45 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1090.000 |
| 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 |
