Cas no 78811-27-5 (2,6-Dimetylphenol 1-carbonate)
2,6-Dimetylphenol 1-carbonate structure
Product Name:2,6-Dimetylphenol 1-carbonate
CAS No:78811-27-5
MF:C9H10O3
MW:166.173902988434
CID:60032
PubChem ID:29940796
Update Time:2025-04-18
2,6-Dimetylphenol 1-carbonate Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Dimetylphenol 1-carbonate
- 2,5-DIMETHYL-1-PYRIDIN-2-YL-1H-PYRROLE-3-CARBALDEHYDE
- 2,6-dimetyl-phenoxyacetic acid
- Phenol,2,6-dimethyl-, hydrogen carbonate (9CI)
- 78811-27-5
- SCHEMBL982574
- (2,6-dimethylphenyl) hydrogen carbonate
- 2,6-dimetylphenoxyacetic acid
- 3-Bromo-5-methoxybenzeneboronicacid
-
- Inchi： 1S/C9H10O3/c1-6-4-3-5-7(2)8(6)12-9(10)11/h3-5H,1-2H3,(H,10,11)
- InChI Key： KDUPTBDYUFOEBH-UHFFFAOYSA-N
- SMILES： O(C(=O)O)C1C(C)=CC=CC=1C
Computed Properties
- Exact Mass: 166.06300
- Monoisotopic Mass: 166.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 157
- 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
- XLogP3: 2.4
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.181
- Boiling Point: 286 oC
- Flash Point: 114 oC
- PSA: 46.53000
- LogP: 2.36020
2,6-Dimetylphenol 1-carbonate Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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