Cas no 17484-28-5 (Benzoic acid,3-(1,1-dimethylethyl)-5-methyl-)
17484-28-5 structure
Product Name:Benzoic acid,3-(1,1-dimethylethyl)-5-methyl-
CAS No:17484-28-5
MF:C12H16O2
MW:192.254243850708
CID:211159
PubChem ID:87136
Update Time:2025-04-19
Benzoic acid,3-(1,1-dimethylethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(1,1-dimethylethyl)-5-methyl-
- 3-tert-butyl-5-methylbenzoic acid
- 5-tert-butyl-m-toluic acid
- Einecs 241-499-7
- 3-(1,1-Dimethylethyl)-5-methylbenzoic acid
- NS00051756
- FT-0752523
- AKOS005442353
- 17484-28-5
- DTXSID30938589
- SCHEMBL8227380
-
- Inchi： 1S/C12H16O2/c1-8-5-9(11(13)14)7-10(6-8)12(2,3)4/h5-7H,1-4H3,(H,13,14)
- InChI Key： KFTYUKLBWUVVPI-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C)C=C(C=1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 37.3
- XLogP3: 3.5
Experimental Properties
- Density: 1.039
- Boiling Point: 297.7°Cat760mmHg
- Flash Point: 142.8°C
- Refractive Index: 1.521
- PSA: 37.3
Benzoic acid,3-(1,1-dimethylethyl)-5-methyl- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
17484-28-5 (Benzoic acid,3-(1,1-dimethylethyl)-5-methyl-) Related Products
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