Cas no 86246-79-9 (Benzoic acid, 2,6-dimethyl-3-(1-methylethyl)-, ethyl ester)
86246-79-9 structure
Product Name:Benzoic acid, 2,6-dimethyl-3-(1-methylethyl)-, ethyl ester
CAS No:86246-79-9
MF:C14H20O2
MW:220.307404518127
CID:662173
PubChem ID:13126300
Update Time:2024-03-02
Benzoic acid, 2,6-dimethyl-3-(1-methylethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,6-dimethyl-3-(1-methylethyl)-, ethyl ester
- ethyl 2,6-dimethyl-3-propan-2-ylbenzoate
-
- Inchi： 1S/C14H20O2/c1-6-16-14(15)13-10(4)7-8-12(9(2)3)11(13)5/h7-9H,6H2,1-5H3
- InChI Key： NMAPFVQJBKPXTL-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C1=C(C)C=CC(C(C)C)=C1C
Computed Properties
- Exact Mass: 220.146329876g/mol
- Monoisotopic Mass: 220.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 235
- 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
- Density: 0.972±0.06 g/cm3(Predicted)
- Boiling Point: 289.3±19.0 °C(Predicted)
Benzoic acid, 2,6-dimethyl-3-(1-methylethyl)-, ethyl ester Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
86246-79-9 (Benzoic acid, 2,6-dimethyl-3-(1-methylethyl)-, ethyl ester) Related Products
- 40496-93-3(4-tert-butylphthalic anhydride)
- 6623-98-9(Methyl 2-Isopropylbenzoate)
- 103935-10-0(Ethyl 2-acetylbenzoate)
- 32703-79-0(5-(tert-Butyl)isobenzofuran-1,3-dione)
- 63846-76-4(Ethyl 2,4,6-triisopropylbenzoate)
- 50604-01-8(Benzoic acid, 2-ethyl-, methyl ester)
- 56427-44-2(Benzoic acid, 2-ethyl-, ethyl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
