Cas no 52959-32-7 (1,3-Benzenediol,4,6-diethyl-)
1,3-Benzenediol,4,6-diethyl- structure
Product Name:1,3-Benzenediol,4,6-diethyl-
CAS No:52959-32-7
MF:C10H14O2
MW:166.216963291168
CID:379785
PubChem ID:104369
Update Time:2025-04-19
1,3-Benzenediol,4,6-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,4,6-diethyl-
- 4,6-diethylbenzene-1,3-diol
- 4,6-diethylresorcinol
- 52959-32-7
- EINECS 258-278-6
- DTXSID10200998
- NS00032624
- SCHEMBL11038842
-
- Inchi： 1S/C10H14O2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h5-6,11-12H,3-4H2,1-2H3
- InChI Key： UACZNFSEKRCDDO-UHFFFAOYSA-N
- SMILES： OC1C=C(C(CC)=CC=1CC)O
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 122
- 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
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 2.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.094
- Boiling Point: 293.6°C at 760 mmHg
- Flash Point: 140.1°C
- Refractive Index: 1.559
- PSA: 40.46
1,3-Benzenediol,4,6-diethyl- Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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