Cas no 68141-25-3 (Octanoic acid,3-phenylpropyl ester)
68141-25-3 structure
Product Name:Octanoic acid,3-phenylpropyl ester
CAS No:68141-25-3
MF:C17H26O2
MW:262.387145519257
CID:520657
PubChem ID:109639
Update Time:2025-04-19
Octanoic acid,3-phenylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid,3-phenylpropyl ester
- 3-phenylpropyl octanoate
- 3-Phenylpropyl caprylate
- NS00036450
- EINECS 268-848-6
- DTXSID4071188
- 68141-25-3
- OZLRQNRZFQXBQQ-UHFFFAOYSA-N
- 3-Phenylpropyl octanoate #
- Octanoic acid, 3-phenylpropyl ester
-
- Inchi： 1S/C17H26O2/c1-2-3-4-5-9-14-17(18)19-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3
- InChI Key： OZLRQNRZFQXBQQ-UHFFFAOYSA-N
- SMILES： O(CCCC1C=CC=CC=1)C(CCCCCCC)=O
Computed Properties
- Exact Mass: 262.19338
- Monoisotopic Mass: 262.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 11
- Complexity: 219
- 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: 5.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Octanoic acid,3-phenylpropyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
68141-25-3 (Octanoic acid,3-phenylpropyl ester) Related Products
- 10031-93-3(Benzenebutanoic Acid Ethyl Ester)
- 101689-18-3(Methyl 7-phenylheptanoate)
- 2021-28-5(Ethyl 3-phenylpropionate)
- 20620-59-1(Methyl 5-Phenylpentanoate)
- 103-52-6(Phenethyl butyrate)
- 17071-29-3(ethyl 3-oxo-5-phenylpentanoate)
- 2046-17-5(Methyl 4-Phenylbutyrate)
- 103-25-3(Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester))
- 104750-61-0(Ethyl 3-(o-tolyl)propanoate)
- 2983-36-0(Benzenepropanoic acid, a-ethyl-, ethyl ester)
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