Cas no 84560-01-0 (3-Octanone,8-hydroxy-2,6-dimethyl-)
84560-01-0 structure
Product Name:3-Octanone,8-hydroxy-2,6-dimethyl-
CAS No:84560-01-0
MF:C10H20O2
MW:172.264603614807
CID:723998
PubChem ID:3019961
Update Time:2025-04-19
3-Octanone,8-hydroxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Octanone,8-hydroxy-2,6-dimethyl-
- 8-hydroxy-2,6-dimethyloctan-3-one
- DTXSID201004843
- 1-hydroxy-3,7-di-methyloctan-6-one
- EINECS 283-188-9
- NS00060839
- 84560-01-0
-
- Inchi： 1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h8-9,11H,4-7H2,1-3H3
- InChI Key： DCMADGNDUAGIQQ-UHFFFAOYSA-N
- SMILES： OCCC(C)CCC(C(C)C)=O
Computed Properties
- Exact Mass: 172.146
- Monoisotopic Mass: 172.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 130
- 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
- XLogP3: 1.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.911
- Boiling Point: 273.1°C at 760 mmHg
- Flash Point: 114°C
- Refractive Index: 1.44
3-Octanone,8-hydroxy-2,6-dimethyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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