Cas no 157239-52-6 (Benzeneacetic acid, a-methyl-, propyl ester, (aR)-)
157239-52-6 structure
Product Name:Benzeneacetic acid, a-methyl-, propyl ester, (aR)-
CAS No:157239-52-6
MF:C12H16O2
MW:192.254243850708
CID:107720
PubChem ID:14926551
Update Time:2025-04-18
Benzeneacetic acid, a-methyl-, propyl ester, (aR)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-methyl-, propyl ester, (aR)-
- PROPYL-α-PHENYLPROPIONATE
- PROPYL-ALPHA-PHENYLPROPIONATE
- propyl (2R)-2-phenylpropanoate
- 157239-52-6
- (R)-2-Phenylpropionic acid propyl ester
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- Inchi： 1S/C12H16O2/c1-3-9-14-12(13)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1
- InChI Key： UTCZKUBBYSOMTC-SNVBAGLBSA-N
- SMILES： O(CCC)C([C@H](C)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 192.11500
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 2.74330
Benzeneacetic acid, a-methyl-, propyl ester, (aR)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
157239-52-6 (Benzeneacetic acid, a-methyl-, propyl ester, (aR)-) Related Products
- 2901-13-5(Ethyl Dimethylphenylacetate)
- 3469-00-9(Methyl 2,2-Diphenylacetate)
- 17838-69-6(Ethyl 3-oxo-2-Phenylpropanoate)
- 111170-56-0(Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-)
- 14510-36-2(Acetyltropic Acid)
- 83-13-6(Diethyl phenylmalonate)
- 102-13-6(Isobutyl 2-phenylacetate)
- 103-48-0(phenethyl isobutyrate)
- 57625-74-8(Methyl Dimethylbenzeneacetate)
- 17097-90-4(3-Ethoxy-3-oxo-2-phenylpropanoic acid)
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