Cas no 825648-96-2 (Hexanoic acid, 2-ethyl-, 8-methylhexadecyl ester)
825648-96-2 structure
Product Name:Hexanoic acid, 2-ethyl-, 8-methylhexadecyl ester
CAS No:825648-96-2
MF:C25H50O2
MW:382.663308620453
CID:687713
PubChem ID:11560011
Update Time:2025-04-19
Hexanoic acid, 2-ethyl-, 8-methylhexadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-ethyl-, 8-methylhexadecyl ester
- 8-methylhexadecyl 2-ethylhexanoate
- 825648-96-2
- DTXSID80468609
-
- Inchi： 1S/C25H50O2/c1-5-8-10-11-13-16-19-23(4)20-17-14-12-15-18-22-27-25(26)24(7-3)21-9-6-2/h23-24H,5-22H2,1-4H3
- InChI Key： WTJOOVFKFIFIME-UHFFFAOYSA-N
- SMILES： O(C(C(CC)CCCC)=O)CCCCCCCC(C)CCCCCCCC
Computed Properties
- Exact Mass: 382.381080833g/mol
- Monoisotopic Mass: 382.381080833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 21
- Complexity: 313
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11
- Topological Polar Surface Area: 26.3?2
Hexanoic acid, 2-ethyl-, 8-methylhexadecyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
825648-96-2 (Hexanoic acid, 2-ethyl-, 8-methylhexadecyl ester) Related Products
- 2349-07-7(Hexyl isobutyrate)
- 2050-01-3(Isoamyl Isobutyrate)
- 1341-38-4(6-Methylheptyl palmitate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 105-79-3(isobutyl caproate)
- 2094-73-7(1-Adamantylcarboxylic Acid Ethyl Ester)
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 2163-48-6(Diethyl propylmalonate)
- 94-28-0(Tri(ethylenglycol)bis-2-ethylhexanoate)
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