Cas no 84434-61-7 (Cyclohexaneacetic acid,1-hydroxy-3,3,5-trimethyl-, ethyl ester)
84434-61-7 structure
Product Name:Cyclohexaneacetic acid,1-hydroxy-3,3,5-trimethyl-, ethyl ester
CAS No:84434-61-7
MF:C13H24O3
MW:228.327864646912
CID:728493
PubChem ID:44148684
Update Time:2025-04-19
Cyclohexaneacetic acid,1-hydroxy-3,3,5-trimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneacetic acid,1-hydroxy-3,3,5-trimethyl-, ethyl ester
- ethyl 1-hydroxy-3,3,5-trimethylcyclohexaneacetate
- ethyl 2-(1-hydroxy-3,3,5-trimethylcyclohexyl)acetate
- DTXSID601004702
- Ethyl 1-hydroxy-3,3,5-trimethyl-cyclohexylacetate
- SCHEMBL11046887
- AKOS011681471
- Ethyl (1-hydroxy-3,3,5-trimethylcyclohexyl)acetate
- DCRFCORMCIEFEJ-UHFFFAOYSA-N
- 84434-61-7
- EINECS 282-861-4
- NS00060906
-
- Inchi： 1S/C13H24O3/c1-5-16-11(14)8-13(15)7-10(2)6-12(3,4)9-13/h10,15H,5-9H2,1-4H3
- InChI Key： DCRFCORMCIEFEJ-UHFFFAOYSA-N
- SMILES： OC1(CC(=O)OCC)CC(C)CC(C)(C)C1
Computed Properties
- Exact Mass: 228.173
- Monoisotopic Mass: 228.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 260
- 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: 46.5A^2
- XLogP3: 3.2
Experimental Properties
- Density: 0.974
- Boiling Point: 290.3°C at 760 mmHg
- Flash Point: 108.3°C
- Refractive Index: 1.454
Cyclohexaneacetic acid,1-hydroxy-3,3,5-trimethyl-, ethyl ester Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
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
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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