Cas no 83783-89-5 (Butanoic acid,2-methyl-, 3-methylpentyl ester)
83783-89-5 structure
Product Name:Butanoic acid,2-methyl-, 3-methylpentyl ester
CAS No:83783-89-5
MF:C11H22O2
MW:186.291183948517
CID:725697
PubChem ID:3019319
Update Time:2025-04-19
Butanoic acid,2-methyl-, 3-methylpentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-methyl-, 3-methylpentyl ester
- 3-methylpentyl 2-methylbutanoate
- 3-methylpentyl 2-methylbutyrate
- NS00061940
- EINECS 280-824-7
- DTXSID301003836
- 83783-89-5
- 3-methyl pentyl 2-methyl butyrate
-
- Inchi： 1S/C11H22O2/c1-5-9(3)7-8-13-11(12)10(4)6-2/h9-10H,5-8H2,1-4H3
- InChI Key： OGFNJVCHDZQOND-UHFFFAOYSA-N
- SMILES： O(C(C(C)CC)=O)CCC(C)CC
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-, 3-methylpentyl ester Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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