Cas no 885-98-3 (1,4-Benzenediol,2,5-dimethyl-, 1,4-diacetate)
885-98-3 structure
Product Name:1,4-Benzenediol,2,5-dimethyl-, 1,4-diacetate
CAS No:885-98-3
MF:C12H14O4
MW:222.237164020538
CID:730098
Update Time:2024-03-01
1,4-Benzenediol,2,5-dimethyl-, 1,4-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol,2,5-dimethyl-, 1,4-diacetate
- (4-acetyloxy-2,5-dimethylphenyl) acetate
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- Inchi： 1S/C12H14O4/c1-7-5-12(16-10(4)14)8(2)6-11(7)15-9(3)13/h5-6H,1-4H3
- InChI Key： HUJQFHOCNAVWBX-UHFFFAOYSA-N
- SMILES： C1(OC(=O)C)=CC(C)=C(OC(=O)C)C=C1C
Computed Properties
- Exact Mass: 222.089
- Monoisotopic Mass: 222.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 246
- 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
Experimental Properties
- Density: 1.126
- Boiling Point: 296.6°C at 760 mmHg
- Flash Point: 141.8°C
- Refractive Index: 1.505
1,4-Benzenediol,2,5-dimethyl-, 1,4-diacetate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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