Cas no 85392-37-6 (3-(isopropyl)-6-methylcyclohexen-1-yl acetate)
85392-37-6 structure
Product Name:3-(isopropyl)-6-methylcyclohexen-1-yl acetate
CAS No:85392-37-6
MF:C12H20O2
MW:196.286004066467
CID:990385
PubChem ID:91748679
Update Time:2025-04-20
3-(isopropyl)-6-methylcyclohexen-1-yl acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-(isopropyl)-6-methylcyclohexen-1-yl acetate
- (6-methyl-3-propan-2-ylcyclohexen-1-yl) acetate
- DTXSID801005887
- 6-Methyl-3-(propan-2-yl)cyclohex-1-en-1-yl acetate
- 85392-37-6
- EINECS 286-896-6
- NS00063728
- YUWKYQNAIQTEAF-UHFFFAOYSA-N
-
- Inchi： 1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h7-9,11H,5-6H2,1-4H3
- InChI Key： YUWKYQNAIQTEAF-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC(C(C)C)CCC1C
Computed Properties
- Exact Mass: 196.146329876g/mol
- Monoisotopic Mass: 196.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 241
- 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: 2.7
Experimental Properties
- Density: 0.95
- Boiling Point: 267.4°C at 760 mmHg
- Flash Point: 106.1°C
- Refractive Index: 1.464
3-(isopropyl)-6-methylcyclohexen-1-yl acetate Related Literature
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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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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