Cas no 101873-65-8 (Benzenebutanoic acid, octyl ester)
101873-65-8 structure
Product Name:Benzenebutanoic acid, octyl ester
CAS No:101873-65-8
MF:C18H28O2
MW:276.413725852966
CID:1130789
PubChem ID:16225509
Update Time:2025-04-20
Benzenebutanoic acid, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid, octyl ester
- octyl 4-phenylbutanoate
- 4-phenyl-butyric acid octyl ester
- Butyric acid, 4-phenyl-, octyl ester
- IHOSELVFKBBYTI-UHFFFAOYSA-N
- DTXSID00585327
- SCHEMBL19119202
- 101873-65-8
-
- Inchi： 1S/C18H28O2/c1-2-3-4-5-6-10-16-20-18(19)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,2-6,10-11,14-16H2,1H3
- InChI Key： IHOSELVFKBBYTI-UHFFFAOYSA-N
- SMILES： O(C(CCCC1C=CC=CC=1)=O)CCCCCCCC
Computed Properties
- Exact Mass: 276.20904
- Monoisotopic Mass: 276.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 232
- 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: 5.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzenebutanoic acid, octyl ester Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
101873-65-8 (Benzenebutanoic acid, octyl 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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