Cas no 7774-60-9 (Propanoic acid,2-methyl-, 1-methyl-1-phenylethyl ester)
7774-60-9 structure
Product Name:Propanoic acid,2-methyl-, 1-methyl-1-phenylethyl ester
CAS No:7774-60-9
MF:C13H18O2
MW:206.280824184418
CID:571581
Update Time:2025-04-19
Propanoic acid,2-methyl-, 1-methyl-1-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 1-methyl-1-phenylethyl ester
- 1-methyl-1-phenylethyl isobutyrate
- 2-phenylpropan-2-yl 2-methylpropanoate
- 1-Methyl-1-phenylethyl 2-methylpropanoate
- 2-Phenylpropan-2-yl isobutyrate
- alpha,alpha-Dimethylbenzyl 2-methylpropanoate
- alpha,alpha-Dimethylbenzyl isobutyrate
- FEMA No. 2388
- Isobutyric acid, alpha,alpha-dimethylbenzyl ester
- Phenyl dimethyl carbinyl isobutyrate
-
- Inchi： 1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
- InChI Key： LQOHUFIIIKBPQC-UHFFFAOYSA-N
- SMILES： CC(C(OC(C1C=CC=CC=1)(C)C)=O)C
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.13068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 213
- 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
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.985
- Boiling Point: 260.216°C at 760 mmHg
- Flash Point: 93.23°C
- Refractive Index: 1.487
- PSA: 26.3
- FEMA: 2388 | ALPHA,ALPHA-DIMETHYLBENZYL ISOBUTYRATE
Propanoic acid,2-methyl-, 1-methyl-1-phenylethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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