Cas no 67989-19-9 (hexanedioic acid - octane-1,8-diyl diacetate (1:1))
67989-19-9 structure
Product Name:hexanedioic acid - octane-1,8-diyl diacetate (1:1)
CAS No:67989-19-9
MF:C18H32O8
MW:376.441886901855
CID:1723023
PubChem ID:6455695
Update Time:2025-04-21
hexanedioic acid - octane-1,8-diyl diacetate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- hexanedioic acid - octane-1,8-diyl diacetate (1:1)
- 8-acetyloxyoctyl acetate,hexanedioic acid
- 67989-19-9
- Hexanedioic acid--octane-1,8-diyl diacetate (1/1)
- DTXSID10987398
-
- Inchi： 1S/C12H22O4.C6H10O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14;7-5(8)3-1-2-4-6(9)10/h3-10H2,1-2H3;1-4H2,(H,7,8)(H,9,10)
- InChI Key： ZECNZTKSYNJDSE-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CCCCCCCCOC(C)=O.OC(CCCCC(=O)O)=O
Computed Properties
- Exact Mass: 376.209718
- Monoisotopic Mass: 376.209718
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 16
- Complexity: 293
- 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: 127
Experimental Properties
- Boiling Point: 300.2°C at 760 mmHg
- Flash Point: 139.5°C
hexanedioic acid - octane-1,8-diyl diacetate (1:1) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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