Cas no 90411-66-8 (Propyl 2-ethylhexanoate)
Propyl 2-ethylhexanoate structure
Product Name:Propyl 2-ethylhexanoate
CAS No:90411-66-8
MF:C11H22O2
MW:186.291183948517
CID:807111
Update Time:2023-08-03
Propyl 2-ethylhexanoate Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-ethyl-, C12-15-alkyl esters
- CHEM-MAO
- Propyl 2-ethylhexanoate
- N-PROPYL 2-ETHYLHEXANOATE
- 2-Ethylhexanoic acid n-propyl ester
- NSC8234
- IHIQOKFJGANDOX-UHFFFAOYSA-N
- SBB061120
- Hexanoic acid,2-ethyl-, propyl ester
- ST50825260
-
- Inchi： 1S/C11H22O2/c1-4-7-8-10(6-3)11(12)13-9-5-2/h10H,4-9H2,1-3H3
- InChI Key： IHIQOKFJGANDOX-UHFFFAOYSA-N
- SMILES： O(CCC)C(C(CC)CCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 132
- XLogP3: 3.8
- Topological Polar Surface Area: 26.3
Propyl 2-ethylhexanoate Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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