Cas no 84029-87-8 (1,2-Benzenedicarboxylicacid, 4-methyl-5-(1-methylethyl)-)
84029-87-8 structure
Product Name:1,2-Benzenedicarboxylicacid, 4-methyl-5-(1-methylethyl)-
CAS No:84029-87-8
MF:C12H14O4
MW:222.237164020538
CID:727305
PubChem ID:3019603
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 4-methyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 4-methyl-5-(1-methylethyl)-
- 4-methyl-5-propan-2-ylphthalic acid
- 5-(isopropyl)-4-methylphthalic acid
- 4-Methyl-5-(1-methylethyl)-1,2-benzenedicarboxylic acid
- TW8FZP4F9S
- 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-
- NS00038385
- EINECS 281-758-1
- DTXSID30232918
- 84029-87-8
-
- Inchi： 1S/C12H14O4/c1-6(2)8-5-10(12(15)16)9(11(13)14)4-7(8)3/h4-6H,1-3H3,(H,13,14)(H,15,16)
- InChI Key： JXJMQLWUVREZGB-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=CC(C)=C(C=1)C(C)C)=O
Computed Properties
- Exact Mass: 222.089209
- Monoisotopic Mass: 222.089209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 2.5
Experimental Properties
- Density: 1.228
- Boiling Point: 391.1°C at 760 mmHg
- Flash Point: 204.5°C
- Refractive Index: 1.567
1,2-Benzenedicarboxylicacid, 4-methyl-5-(1-methylethyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
84029-87-8 (1,2-Benzenedicarboxylicacid, 4-methyl-5-(1-methylethyl)-) Related Products
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