Cas no 93762-14-2 (1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, sodium salt (9CI))
93762-14-2 structure
Product Name:1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, sodium salt (9CI)
CAS No:93762-14-2
MF:C12H13NaO4
MW:244.218994855881
CID:815323
PubChem ID:23662570
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, sodium salt (9CI)
- sodium isobutyl phthalate
- sodium,2-(2-methylpropoxycarbonyl)benzoate
- DTXSID80239573
- NS00091848
- FZE35P8CV4
- EINECS 297-728-6
- 1,2-Benzenedicarboxylic acid, mono(2-methylpropyl) ester, sodium salt
- 93762-14-2
-
- Inchi: 1S/C12H14O4.Na/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14;/h3-6,8H,7H2,1-2H3,(H,13,14);/q;+1/p-1
- InChI Key: REWQYEQHPFDJHO-UHFFFAOYSA-M
- SMILES: [Na+].O(C(C1C=CC=CC=1C(=O)[O-])=O)CC(C)C
Computed Properties
- Exact Mass: 244.071154
- Monoisotopic Mass: 244.071154
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 265
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.4
Experimental Properties
- Boiling Point: 356.6°Cat760mmHg
- Flash Point: 135°C
1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, sodium salt (9CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
93762-14-2 (1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, sodium salt (9CI)) Related Products
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