Cas no 10581-37-0 (()-α,α,4-trimethylcyclohex-3-ene-1-methyl acetate)
10581-37-0 structure
Product Name:()-α,α,4-trimethylcyclohex-3-ene-1-methyl acetate
CAS No:10581-37-0
MF:C12H20O2
MW:196.286004066467
CID:1161227
Update Time:2025-04-20
()-α,α,4-trimethylcyclohex-3-ene-1-methyl acetate Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-1-(propan-2-yl)cyclohex-2-en-1-yl acetate
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
- ()-α
- ,α
- ,4-trimethylcyclohex-3-ene-1-methyl acetate
- ()-α,α,4-trimethylcyclohex-3-ene-1-methyl acetate
-
- Inchi： 1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
- InChI Key： IGODOXYLBBXFDW-UHFFFAOYSA-N
- SMILES： CC(OC(C1CC=C(C)CC1)(C)C)=O
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 196.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 251
- 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
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Color/Form: Clear liquid
- Density: 0.962
- Boiling Point: 210 - 220 C
- Flash Point: 97 C
- Refractive Index: 1.467
- PSA: 26.3
- LogP: 3.07450
()-α,α,4-trimethylcyclohex-3-ene-1-methyl acetate Related Literature
-
Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
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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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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Menthane monoterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Menthane monoterpenoids
- Natural Products and Extracts Plant Extracts Plant based Rhanterium epapposum
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