Cas no 32276-64-5 (benzoic acid,2-methyl, (2-methylpropyl)ester)
32276-64-5 structure
Product Name:benzoic acid,2-methyl, (2-methylpropyl)ester
CAS No:32276-64-5
MF:C12H16O2
MW:192.254243850708
CID:916814
PubChem ID:141692
Update Time:2025-04-19
benzoic acid,2-methyl, (2-methylpropyl)ester Chemical and Physical Properties
Names and Identifiers
-
- benzoic acid,2-methyl, (2-methylpropyl)ester
- o-Toluic acid, 2-methylpropyl ester
- 2-methylpropyl 2-methylbenzoate
- DTXSID90186024
- Isobutyl 2-methylbenzoate #
- 32276-64-5
- SCHEMBL6057357
- ISOBUTYL ORTHO TOLUATE
- WBNOXPDHXZDLCY-UHFFFAOYSA-N
- Benzoic acid, 2-methyl-, (2-methylpropyl) ester
- Q63395540
-
- Inchi： 1S/C12H16O2/c1-9(2)8-14-12(13)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
- InChI Key： WBNOXPDHXZDLCY-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C)=O)CC(C)C
Computed Properties
- Exact Mass: 192.11508
- 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: 4
- Complexity: 187
- 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: 4.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
benzoic acid,2-methyl, (2-methylpropyl)ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
32276-64-5 (benzoic acid,2-methyl, (2-methylpropyl)ester) Related Products
- 120-50-3(2-Methylpropyl Ester Benzoic Acid)
- 131-16-8(Di-n-propyl Phthalate)
- 84-74-2(Dibutyl phthalate)
- 18750-05-5(Benzyl 2-Ethylhexyl Phthalate)
- 1726-23-4(Tributyl Trimellitate)
- 131-70-4(Monobutyl phthalate)
- 18699-48-4(Diisobutyl terephthalate)
- 1528-53-6(Tripropyl benzene-1,2,4-tricarboxylate)
- 85-68-7(Benzyl butyl phthalate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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