Cas no 85391-50-0 (1,2-Benzenedicarboxylicacid, 1,2-bis(4-methyloctyl) ester)
85391-50-0 structure
Product Name:1,2-Benzenedicarboxylicacid, 1,2-bis(4-methyloctyl) ester
CAS No:85391-50-0
MF:C26H42O4
MW:418.609288692474
CID:724313
PubChem ID:3020640
Update Time:2024-03-01
1,2-Benzenedicarboxylicacid, 1,2-bis(4-methyloctyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 1,2-bis(4-methyloctyl) ester
- bis(4-methyloctyl) benzene-1,2-dicarboxylate
- bis(4-methyloctyl) phthalate
- Bis(4-methyloctyl)phthalat
- 1,2-Benzenedicarboxylic acid bis(4-methyloctyl) ester
- Phthalic acid bis(4-methyloctyl) ester
- Einecs 286-804-4
- 1,2-Benzenedicarboxylic acid, 1,2-bis(4-methyloctyl) ester
-
- Inchi： 1S/C26H42O4/c1-5-7-13-21(3)15-11-19-29-25(27)23-17-9-10-18-24(23)26(28)30-20-12-16-22(4)14-8-6-2/h9-10,17-18,21-22H,5-8,11-16,19-20H2,1-4H3
- InChI Key： YWWKENIVKIAFNQ-UHFFFAOYSA-N
- SMILES： C1(C(OCCCC(C)CCCC)=O)=CC=CC=C1C(OCCCC(C)CCCC)=O
Computed Properties
- Exact Mass: 418.30831
- Monoisotopic Mass: 418.30831
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 18
- Complexity: 420
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.6
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 0.973
- Boiling Point: 405.7°C at 760 mmHg
- Flash Point: 216.3°C
- Refractive Index: 1.487
1,2-Benzenedicarboxylicacid, 1,2-bis(4-methyloctyl) ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
85391-50-0 (1,2-Benzenedicarboxylicacid, 1,2-bis(4-methyloctyl) ester) Related Products
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- 6422-86-2(Dioctyl Terepthalate)
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- 94-46-2(Isopentyl benzoate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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