Cas no 31197-87-2 (Benzeneacetic acid, a-cyclohexyl-a-ethoxy-)
31197-87-2 structure
Product Name:Benzeneacetic acid, a-cyclohexyl-a-ethoxy-
CAS No:31197-87-2
MF:C16H22O3
MW:262.344085216522
CID:309171
PubChem ID:207940
Update Time:2025-04-19
Benzeneacetic acid, a-cyclohexyl-a-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-cyclohexyl-a-ethoxy-
- 2-cyclohexyl-2-ethoxy-2-phenylacetic acid
- BRN 2869121
- alpha-Ethoxy-alpha-phenylcyclohexaneacetic acid
- Acide phenylcyclohexylethoxyacetique
- Cyclohexaneacetic acid, alpha-ethoxy-alpha-phenyl-
- DTXSID00953284
- cyclohexyl(ethoxy)phenylacetic acid
- Acide phenylcyclohexylethoxyacetique [French]
- 31197-87-2
-
- Inchi： 1S/C16H22O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,17,18)
- InChI Key： YJTJKMRVFAJBTN-UHFFFAOYSA-N
- SMILES： O(CC)C(C(=O)O)(C1C=CC=CC=1)C1CCCCC1
Computed Properties
- Exact Mass: 262.15696
- Monoisotopic Mass: 262.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 290
- 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
- XLogP3: 3.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.111
- Boiling Point: 402.7°Cat760mmHg
- Flash Point: 144.4°C
- Refractive Index: 1.535
- PSA: 46.53
Benzeneacetic acid, a-cyclohexyl-a-ethoxy- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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