Cas no 1321-57-9 (1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(1-methylethyl) ester)
1321-57-9 structure
Product Name:1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(1-methylethyl) ester
CAS No:1321-57-9
MF:C9H14O7
MW:234.203263759613
CID:146555
Update Time:2025-04-19
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(1-methylethyl) ester
- (1-methylethyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
- 2-hydroxy-2-[2-oxo-2-(propan-2-yloxy)ethyl]butanedioic acid
- 3-carboperoxy-5-(1-methylethoxy)-5-oxopentanoate
- Citric acid, monoisopropyl ester
- Monoisopropyl citrate
- CITRICACID,MONOISOPROPYLESTER
-
- Inchi： 1S/C9H14O7/c1-5(2)16-7(12)4-9(15,8(13)14)3-6(10)11/h5,15H,3-4H2,1-2H3,(H,10,11)(H,13,14)
- InChI Key： SKHXHUZZFVMERR-UHFFFAOYSA-N
- SMILES： C(C(O)=O)C(O)(C(O)=O)CC(OC(C)C)=O
Computed Properties
- Exact Mass: 234.07392
- Monoisotopic Mass: 232.058303
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 127
Experimental Properties
- Density: g/cm3
- Boiling Point: 425.1°Cat760mmHg
- Flash Point: 167.3°C
- Refractive Index: 1.509
- PSA: 121.13
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(1-methylethyl) ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
1321-57-9 (1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(1-methylethyl) ester) Related Products
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