Cas no 63667-10-7 (Cyclohexanemethanol, a,3-dimethyl-, acetate (6CI,9CI))
63667-10-7 structure
Product Name:Cyclohexanemethanol, a,3-dimethyl-, acetate (6CI,9CI)
CAS No:63667-10-7
MF:C11H20O2
MW:184.275303840637
CID:513328
PubChem ID:69886235
Update Time:2025-04-19
Cyclohexanemethanol, a,3-dimethyl-, acetate (6CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanemethanol, a,3-dimethyl-, acetate (6CI,9CI)
- (1,3-dimethylcyclohexyl)methyl acetate
- alpha,3-dimethylcyclohexylmethyl acetate
-
- Inchi： 1S/C11H20O2/c1-8-5-4-6-11(7-8)9(2)13-10(3)12/h8-9,11H,4-7H2,1-3H3
- InChI Key： GIWSOHVTWGJQHR-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C)C1CCCC(C)C1
Computed Properties
- Exact Mass: 184.1464
- Monoisotopic Mass: 184.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3?2
- XLogP3: 3.2
Experimental Properties
- Density: 0.91
- Boiling Point: 214.4°C at 760 mmHg
- Flash Point: 80.6°C
- Refractive Index: 1.434
- PSA: 26.3
Cyclohexanemethanol, a,3-dimethyl-, acetate (6CI,9CI) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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