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Basic Description
| Synonyms | Diisopentyl phthalate | 605-50-5 | Isoamyl phthalate | Diisoamyl phthalate | Bis(3-methylbutyl) phthalate | Disoamyl phthalate | Phthalic acid, diisopentyl ester | 1,2-Benzenedicarboxylic acid, bis(3-methylbutyl) ester | bis(3-methylbutyl) benzene-1,2-dicarboxylate | WPN6M |
|---|---|
| Specifications & Purity | ≥95%(GC) |
| Storage Temp | Store at 2-8°C |
| 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 Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 | 504754327 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754327 |
| IUPAC Name | bis(3-methylbutyl) benzene-1,2-dicarboxylate |
| INCHI | InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3 |
| InChIKey | JANBFCARANRIKJ-UHFFFAOYSA-N |
| Smiles | CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C |
| Isomeric SMILES | CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C |
| Molecular Weight | 306.4 |
| Reaxy-Rn | 2134957 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2134957&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 |
|---|---|---|---|
 K2104535 |
Certificate of Analysis | Aug 20, 2024 | D171150 |
| K2104578 |
Certificate of Analysis | Aug 20, 2024 | D171150 |
| J2227451 |
Certificate of Analysis | Aug 09, 2022 | D171150 |
| J2227455 |
Certificate of Analysis | Aug 09, 2022 | D171150 |
| J2227456 |
Certificate of Analysis | Aug 09, 2022 | D171150 |
Chemical and Physical Properties
| Refractive Index | 1.485-1.489 |
|---|---|
| Molecular Weight | 306.400 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 306.183 Da |
| Monoisotopic Mass | 306.183 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| 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 |
Solution Calculators
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