Basic information
- CAS
1528-64-9- Standard SMILES
CC(C)COC(=O)c1cccc(C(=O)OCC(C)C)c1- InChIKey
LKUXNJPSPNDDLI-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- 1,3-Bis(2-methylpropyl) 1,3-benzenedicarboxylate
- IUPAC
- bis(2-methylpropyl) benzene-1,3-dicarboxylate
- English name
- Isophthalic acid diisobutyl ester
- Molecular formula
- C16H22O4
- Molecular weight
- 278.34
Names & synonyms
ISOPHTHALIC ACID, DIISOBUTYL ESTER1528-64-9DTXSID80165126RefChem:1052722DTXCID90876171,3-Bis(2-methylpropyl) 1,3-benzenedicarboxylatebis(2-methylpropyl) benzene-1,3-dicarboxylateisophthalic acid diisobutyl esterDiisobutyl isophthalateBRN 26212411,3-Benzenedicarboxylic acid, bis(2-methylpropyl) esterSCHEMBL109308
Show more names
1,3-Benzenedicarboxylic acid, 1,3-bis(2-methylpropyl) ester
SCHEMBL6950073SCHEMBL6950100di-(2-Methylpropyl) isophthalate
Database identifiers
- CAS
1528-64-9- PubChem CID
- 15215
- DTXSID
DTXSID80165126- Nikkaji
- J68.820G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 300.1 · 300.1±10.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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