Cas no 51407-20-6 (Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-rel-)
51407-20-6 structure
Product Name:Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-rel-
CAS No:51407-20-6
MF:C12H22O2
MW:198.301884174347
CID:382090
PubChem ID:76871844
Update Time:2025-04-19
Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-rel-
- (1)-(1alpha,2beta,5beta)-5-(Isopropyl)-2-methylcyclohexyl acetate
- 2-methyl-5-(propan-2-yl)cyclohexyl acetate
- Cyclohexanol, 2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-rel-
- EINECS 257-177-4
- 51407-20-6
- DTXSID701157239
-
- Inchi： 1S/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
- InChI Key： JAKFDYGDDRCJLY-ADEWGFFLSA-N
- SMILES： O(C(C)=O)[C@@H]1C[C@@H](C(C)C)CC[C@H]1C
Computed Properties
- Exact Mass: 198.161979940g/mol
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 199
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.92
- Boiling Point: 229.1°Cat760mmHg
- Flash Point: 94.4°C
- Refractive Index: 1.448
Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-rel- Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
51407-20-6 (Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1R,2R,5S)-rel-) Related Products
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- 2623-23-6(Menthyl acetate)
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- 5726-19-2(2-Methylcyclohexyl Acetate)
- 125-12-2(isobornyl acetate)
- 88-41-5(2-Tert-Butylcyclohexyl acetate)
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