Cas no 27749-40-2 (Benzeneacetic acid,2-(1,1-dimethylethyl)-)
27749-40-2 structure
Product Name:Benzeneacetic acid,2-(1,1-dimethylethyl)-
CAS No:27749-40-2
MF:C12H16O2
MW:192.254243850708
CID:274429
PubChem ID:119711
Update Time:2025-04-19
Benzeneacetic acid,2-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,2-(1,1-dimethylethyl)-
- 2-(2-tert-butylphenyl)acetic acid
- (2-tert-Butylphenyl)acetic acid
- 27749-40-2
- Acetic acid, (o-tert-butylphenyl)-
- DTXSID6067337
- SCHEMBL3852706
- Benzeneacetic acid, 2-(1,1-dimethylethyl)-
- AKOS006344556
-
- Inchi： 1S/C12H16O2/c1-12(2,3)10-7-5-4-6-9(10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
- InChI Key： POMSYACWYMCETR-UHFFFAOYSA-N
- SMILES： OC(CC1C=CC=CC=1C(C)(C)C)=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 203
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.047
- Boiling Point: 292°Cat760mmHg
- Flash Point: 189.1°C
- Refractive Index: 1.519
- PSA: 37.3
Benzeneacetic acid,2-(1,1-dimethylethyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
27749-40-2 (Benzeneacetic acid,2-(1,1-dimethylethyl)-) Related Products
- 644-36-0(o-Tolylacetic acid)
- 30981-98-7(2-(2,3-Dimethylphenyl)acetic acid)
- 4408-60-0(Mesitylacetic acid)
- 7500-53-0(2-[2-(carboxymethyl)phenyl]acetic acid)
- 13612-34-5(2-(2,5-dimethylphenyl)acetic acid)
- 51233-80-8(2,6-Dimethylphenylpropionate)
- 4476-28-2(4-Isopropylphenylacetic acid)
- 32857-63-9(4-tert-Butylphenylacetic Acid)
- 6331-04-0(2-(2,4-dimethylphenyl)acetic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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