Cas no 27948-12-5 (Cyclohexaneacetic acid,butyl ester)
27948-12-5 structure
Product Name:Cyclohexaneacetic acid,butyl ester
CAS No:27948-12-5
MF:C12H22O2
MW:198.301884174347
CID:262099
PubChem ID:251210
Update Time:2025-04-19
Cyclohexaneacetic acid,butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneacetic acid,butyl ester
- AC1L5JC1
- AC1Q66X9
- AR-1K6386
- Butyl cyclohexylacetate
- n-Butyl cyclohexylacetate
- NSC71483
- SureCN163813
- 27948-12-5
- NSC-71483
- Butyl cyclohexylacetate #
- SCHEMBL163813
- UMFJXFOZUPARGN-UHFFFAOYSA-N
- DTXSID10290854
- Cyclohexaneacetic acid, butyl ester
-
- Inchi： 1S/C12H22O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h11H,2-10H2,1H3
- InChI Key： UMFJXFOZUPARGN-UHFFFAOYSA-N
- SMILES： O(CCCC)C(CC1CCCCC1)=O
Computed Properties
- Exact Mass: 198.16206
- 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: 6
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Cyclohexaneacetic acid,butyl ester Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
27948-12-5 (Cyclohexaneacetic acid,butyl ester) Related Products
- 109-19-3(Butyl 3-methylbutanoate)
- 106-27-4(Isopentyl butyrate)
- 1341-38-4(6-Methylheptyl palmitate)
- 5870-68-8(Ethyl 3-Methylvalerate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 14352-61-5(Methylcyclohexaneacetate)
- 557-00-6(propyl isovalerate)
- 659-70-1(Isopentyl 3-methylbutanoate)
- 2035-99-6(Isopentyl octanoate)
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