Cas no 6315-03-3 ( )
structure
Product Name:
CAS No:6315-03-3
MF:C14H20O2
MW:220.307404518127
CID:958897
PubChem ID:227890
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-methylpropyl 4-(propan-2-yl)benzoate; NSC20051; AC1L5FTO; AC1Q62T3; CTK5B7803; AR-1E4172; NSC-20051; AG-J-54491;
- NSC-20051
- SCHEMBL19762354
- DTXSID10281085
- 2-methylpropyl 4-(propan-2-yl)benzoate
- NSC20051
- 6315-03-3
-
-
- Inchi： 1S/C14H20O2/c1-10(2)9-16-14(15)13-7-5-12(6-8-13)11(3)4/h5-8,10-11H,9H2,1-4H3
- InChI Key： NSBLZOPMGZVJAR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)C(C)C)=O)CC(C)C
Computed Properties
- Exact Mass: 220.1464
- Monoisotopic Mass: 220.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 213
- 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: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.969
- Boiling Point: 293.8°C at 760 mmHg
- Flash Point: 130.6°C
- Refractive Index: 1.493
- PSA: 26.3
- LogP: 3.62280
Related Literature
-
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
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
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
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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