Cas no 52513-03-8 (1-Butanol, 2-methyl-,1-benzoate)
52513-03-8 structure
Product Name:1-Butanol, 2-methyl-,1-benzoate
CAS No:52513-03-8
MF:C12H16O2
MW:192.254243850708
CID:381868
Update Time:2026-05-14
1-Butanol, 2-methyl-,1-benzoate Chemical and Physical Properties
Names and Identifiers
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- 1-Butanol, 2-methyl-,1-benzoate
- 1-Butanol, 2-methyl-, benzoate
- 2-Methylbutyl benzoate
- 2-methyl-1-butano benzoate
- 1-Butanol,2-methyl-,benzoate
-
- Inchi： 1S/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 0.992
- Boiling Point: 260°Cat760mmHg
- Flash Point: 109.4°C
- Refractive Index: 1.495
- PSA: 26.3
1-Butanol, 2-methyl-,1-benzoate Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
52513-03-8 (1-Butanol, 2-methyl-,1-benzoate) Related Products
- 136-60-7(Butyl benzoate)
- 120-50-3(2-Methylpropyl Ester Benzoic Acid)
- 18750-05-5(Benzyl 2-Ethylhexyl Phthalate)
- 1962-75-0(1,4-dibutyl benzene-1,4-dicarboxylate)
- 3126-90-7(Dibutyl isophthalate)
- 131298-44-7(Benzoic acid,C9-11-branched alkyl esters)
- 6422-86-2(Dioctyl Terepthalate)
- 94-46-2(Isopentyl benzoate)
- 137-89-3(Bis(2-ethylhexyl) Benzene-1,3-dicarboxylate)
- 18699-48-4(Diisobutyl terephthalate)
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