Cas no 22597-21-3 (Cyclohexanol,3-methyl-, 1-acetate)
22597-21-3 structure
Product Name:Cyclohexanol,3-methyl-, 1-acetate
CAS No:22597-21-3
MF:C9H15O2
MW:155.214203119278
CID:250954
PubChem ID:53425858
Update Time:2025-04-19
Cyclohexanol,3-methyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,3-methyl-, 1-acetate
- Cyclohexanol,3-methyl-, acetate (6CI,7CI,8CI,9CI)
- 2-(3-methylcyclohexyl)acetate
- DTXSID50699009
- 22597-21-3
- (3-Methylcyclohexyl)acetate
-
- Inchi： 1S/C9H16O2/c1-7-3-2-4-8(5-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/p-1
- InChI Key： AEWINPKFTZLDHZ-UHFFFAOYSA-M
- SMILES： [O-]C(CC1CCCC(C)C1)=O
Computed Properties
- Exact Mass: 156.115
- Monoisotopic Mass: 156.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 143
- 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: 37.3A^2
- XLogP3: 3.4
Cyclohexanol,3-methyl-, 1-acetate Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
22597-21-3 (Cyclohexanol,3-methyl-, 1-acetate) Related Products
- 701-97-3(3-Cyclohexylpropanoic acid)
- 1338-24-5(Naphthenic acids)
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 626-51-7(3-Methylglutaric acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 646-07-1(4-Methylpentanoic acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 105-43-1(3-methylpentanoic acid)
- 1076-97-7(1,4-Cyclohexanedicarboxylic Acid)
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