Cas no 80417-97-6 (2(4H)-Benzofuranone,5,6-dihydro-3,6-dimethyl-)
80417-97-6 structure
Product Name:2(4H)-Benzofuranone,5,6-dihydro-3,6-dimethyl-
CAS No:80417-97-6
MF:C10H12O2
MW:164.201083183289
CID:727709
PubChem ID:3018936
Update Time:2025-04-19
2(4H)-Benzofuranone,5,6-dihydro-3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(4H)-Benzofuranone,5,6-dihydro-3,6-dimethyl-
- 3,6-dimethyl-5,6-dihydro-4H-1-benzofuran-2-one
- 5,6-dihydro-3,6-dimethyl-4H-benzofuran-2-one
- 80417-97-6
- NS00060234
- EINECS 279-462-2
- 5,6-Dihydro-3,6-dimethyl-2(4H)-benzofuranone, 9CI
- CHEBI:180408
- 5,6-dihydro-3,6-dimethylbenzofuran-2(4h)-one
- DTXSID50868571
- SCHEMBL3504411
- UNII-HQN74S1YWS
- 2(4H)-Benzofuranone, 5,6-dihydro-3,6-dimethyl-
- p-Mentha-2,4(8)-dien-9,3-olide
- 3,6-dimethyl-2,4,5,6-tetrahydro-1-benzofuran-2-one
- 5,6-dihydro-3,6-dimethyl-2(4H)-benzofuranone
- HQN74S1YWS
- ZRTWVYJNKXXDDT-UHFFFAOYSA-N
- FEMA 3755
- 3,6-Dimethyl-5,6-dihydro-1-benzofuran-2(4H)-one
- 3,6-dimethyl-5,6-dihydro-4H-1-benzouran-2-one
-
- Inchi： 1S/C10H12O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5-6H,3-4H2,1-2H3
- InChI Key： ZRTWVYJNKXXDDT-UHFFFAOYSA-N
- SMILES： O1C(C(C)=C2C1=CC(C)CC2)=O
Computed Properties
- Exact Mass: 164.084
- Monoisotopic Mass: 164.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 297
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.11
- Boiling Point: 331.6°C at 760 mmHg
- Flash Point: 137.2°C
- Refractive Index: 1.528
- FEMA: 3755 | DEHYDROMENTHOFUROLACTONE
2(4H)-Benzofuranone,5,6-dihydro-3,6-dimethyl- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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