Cas no 5471-52-3 (Benzeneacetic acid,2-(2-methylpropoxy)ethyl ester)
5471-52-3 structure
Product Name:Benzeneacetic acid,2-(2-methylpropoxy)ethyl ester
CAS No:5471-52-3
MF:C14H20O3
MW:236.306804656982
CID:382546
PubChem ID:231028
Update Time:2025-04-19
Benzeneacetic acid,2-(2-methylpropoxy)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,2-(2-methylpropoxy)ethyl ester
- 2-(2-methylpropoxy)ethyl 2-phenylacetate
- 2-(2-methylpropoxy)ethyl phenylacetate
- AC1L5KSY
- AC1Q68AE
- AG-J-54579
- AR-1C6901
- CTK5A2400
- NSC26504
- NSC-26504
- 5471-52-3
- DTXSID00282561
-
- Inchi： 1S/C14H20O3/c1-12(2)11-16-8-9-17-14(15)10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
- InChI Key： PWTZLPZAMBTJGN-UHFFFAOYSA-N
- SMILES： O(CCOC(CC1C=CC=CC=1)=O)CC(C)C
Computed Properties
- Exact Mass: 236.1413
- Monoisotopic Mass: 236.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 208
- 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: 3.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.02
- Boiling Point: 326.8°Cat760mmHg
- Flash Point: 115.3°C
- Refractive Index: 1.491
- PSA: 35.53
Benzeneacetic acid,2-(2-methylpropoxy)ethyl ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
5471-52-3 (Benzeneacetic acid,2-(2-methylpropoxy)ethyl ester) Related Products
- 111170-56-0(Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-)
- 4606-15-9(Benzeneacetic acid,propyl ester)
- 14062-19-2(Ethyl p-Tolylacetate)
- 105337-18-6(Ethyl 2-(3,5-dimethylphenyl)acetate)
- 101-97-3(Ethyl phenylacetate)
- 102-13-6(Isobutyl 2-phenylacetate)
- 36076-26-3(1,4-Phenylenediacetic Acid Diethyl Ester)
- 103-48-0(phenethyl isobutyrate)
- 40061-55-0(Ethyl m-tolylacetate)
- 102-20-5(2-Phenylethyl 2-Phenylacetate)
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