Cas no 83783-88-4 (Butanoic acid,2-methyl-, 2-methylpentyl ester)
83783-88-4 structure
Product Name:Butanoic acid,2-methyl-, 2-methylpentyl ester
CAS No:83783-88-4
MF:C11H22O2
MW:186.291183948517
CID:725481
PubChem ID:3019318
Update Time:2025-04-19
Butanoic acid,2-methyl-, 2-methylpentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-methyl-, 2-methylpentyl ester
- 2-methylpentyl 2-methylbutanoate
- 2-methylpentyl 2-methylbutyrate
- EINECS 280-823-1
- DTXSID601003835
- RVVHHUUVQYONCR-UHFFFAOYSA-N
- NS00060296
- 83783-88-4
- Butanoic acid, 2-methyl-, 2-methylpentyl ester
-
- Inchi： 1S/C11H22O2/c1-5-7-9(3)8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3
- InChI Key： RVVHHUUVQYONCR-UHFFFAOYSA-N
- SMILES： O(C(C(C)CC)=O)CC(C)CCC
Computed Properties
- Exact Mass: 186.16198
- Monoisotopic Mass: 186.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.7
Experimental Properties
- Density: 0.869
- Boiling Point: 203.9°C at 760 mmHg
- Flash Point: 78.9°C
- Refractive Index: 1.424
Butanoic acid,2-methyl-, 2-methylpentyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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