| CAS Number | 84777-06-0 |
| Catalog Number | AG0032K9(AGN-PC-0UTPOS) |
| Chemical Name | 1,2-Benzenedicarboxylic acid, dipentyl ester, branched and linear |
| IUPAC Name | 3,4-bis(3-methylbutyl)phthalate |
| InChI | InChI=1S/C18H26O4/c1-11(2)5-7-13-8-10-15(17(19)20)16(18(21)22)14(13)9-6-12(3)4/h8,10-12H,5-7,9H2,1-4H3,(H,19,20)(H,21,22)/p-2 |
| InChI Key | YRWFRHKQYQHUTP-UHFFFAOYSA-L |
| MDL Number | MFCD01779721 |
| Molecular Formula | C18H24O4 |
| Molecular Weight | 304.3808 |
| SMILES | CC(CCc1ccc(c(c1CCC(C)C)C(=O)[O-])C(=O)[O-])C |
| Synonyms | 84777-06-0,
3,4-bis(3-methylbutyl)phthalate,
Diisopentylphthalate,
Dipentyl phthalate, branched and linear,
1,2-Benzenedicarboxylic acid, dipentyl ester, branched and linear,
EINECS 284-032-2,
Diumide-K continus,
AC1MI935,
CID3020116,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.167459g/mol |
| Formal Charge | -2 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.4g/mol |
| Monoisotopic Mass | 304.167459g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number