Cas no 230287-81-7 (Benzenepropanoic acid,4-(2-methylpropyl)-, ethyl ester)
230287-81-7 structure
Product Name:Benzenepropanoic acid,4-(2-methylpropyl)-, ethyl ester
CAS No:230287-81-7
MF:C15H22O2
MW:234.333984851837
CID:245249
PubChem ID:45116518
Update Time:2025-04-19
Benzenepropanoic acid,4-(2-methylpropyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,4-(2-methylpropyl)-, ethyl ester
- LogP
- ethyl 3-[4-(2-methylpropyl)phenyl]propanoate
- 3-(4-isobutylphenyl)Propanoic acid ethyl ester
- SCHEMBL764926
- 3-(4-isobutyl-phenyl)-propionic acid ethyl ester
- DTXSID20668449
- 230287-81-7
-
- Inchi： 1S/C15H22O2/c1-4-17-15(16)10-9-13-5-7-14(8-6-13)11-12(2)3/h5-8,12H,4,9-11H2,1-3H3
- InChI Key： HQCIUZLBNNCORC-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC1C=CC(=CC=1)CC(C)C)=O
Computed Properties
- Exact Mass: 234.16200
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 215
- 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: 4.3
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 0.97
- Boiling Point: 312.324°C at 760 mmHg
- Flash Point: 108.355°C
- Refractive Index: 1.494
- PSA: 26.30000
- LogP: 3.38080
Benzenepropanoic acid,4-(2-methylpropyl)-, ethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
230287-81-7 (Benzenepropanoic acid,4-(2-methylpropyl)-, ethyl ester) Related Products
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- 10031-93-3(Benzenebutanoic Acid Ethyl Ester)
- 24817-51-4(FEMA 3632)
- 2021-28-5(Ethyl 3-phenylpropionate)
- 7476-18-8(ethyl 3,3-diphenylpropionate)
- 116754-85-9(Benzenepentadecanoicacid, b-methyl-, methyl ester)
- 140-26-1(Phenethyl isovalerate)
- 2985-39-9(Propanedioic acid,2-(phenylmethyl)-, 1-ethyl ester)
- 2983-36-0(Benzenepropanoic acid, a-ethyl-, ethyl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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