Cas no 24311-92-0 (2-(4-Methylphenyl)propanoate)
2-(4-Methylphenyl)propanoate structure
Product Name:2-(4-Methylphenyl)propanoate
CAS No:24311-92-0
MF:C10H11O2
MW:163.193143129349
CID:278715
Update Time:2023-08-03
2-(4-Methylphenyl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- Copper, (O,O-dimethylphosphorodithioato-kS,kS)- (9CI)
- methyl(4-methylphenyl)acetate
- 2-(4-Methylphenyl)propanoate
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- Inchi： 1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/p-1
- InChI Key： KDYOFXPLHVSIHS-UHFFFAOYSA-M
- SMILES： [O-]C(C(C)C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 219.884
- Monoisotopic Mass: 219.884
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 152
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.1
Experimental Properties
- Color/Form: White to off white powder
- Boiling Point: 194.1°C at 760 mmHg
- Flash Point: 71.2°C
- PSA: 60.36000
- LogP: 1.69870
2-(4-Methylphenyl)propanoate Security Information
- Storage Condition：Keep away from high temperature \ sparks and flames, and keep away from fire sources Do not store near flammable materials Store in tightly closed containers Store in a cool \ dry \ well ventilated area, away from incompatible substances
2-(4-Methylphenyl)propanoate Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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