Butyl octyl phthalate
PubChem CID: 66540
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| Compound Synonyms | Butyl octyl phthalate, 84-78-6, Plasticizer OBP, Staflex BOP, Plasticizer BOP, Octyl butyl phthalate, Truflex OBP, 1,2-Benzenedicarboxylic acid, butyl octyl ester, PX 914, Phthalic acid, butyl octyl ester, NSC 69894, 1-O-butyl 2-O-octyl benzene-1,2-dicarboxylate, EINECS 201-562-1, UNII-Y52J9Q533Y, BRN 2289337, 1,2-Benzenedicarboxylic acid, 1-butyl 2-octyl ester, Y52J9Q533Y, NSC-69894, Phthalic acid, butyloctyl ester, DTXSID2052578, Butyl octyl phthalate(Technical), 1-butyl 2-octyl benzene-1,2-dicarboxylate, MFCD00072261, 1, butyl octyl ester, Butyl octyl phthalic acid, SCHEMBL50451, Phthalic acid, butyl octyl ester (6CI,7CI,8CI), 1-Butyl 2-octyl phthalate #, DTXCID3031151, NSC69894, AKOS016008507, AS-57441, CS-0134595, NS00022833, C13887, Q27294278, 201-562-1 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-O-butyl 2-O-octyl benzene-1,2-dicarboxylate |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C20H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MURWRBWZIMXKGC-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.033 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.51 |
| Compound Name | Butyl octyl phthalate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.910527200000001 |
| Inchi | InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3 |
| Smiles | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Craibiodendron Yunnanese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all