Cas no 71436-85-6 (Butanoic acid,2-hydroxy-2-methyl-, butyl ester)
71436-85-6 structure
Product Name:Butanoic acid,2-hydroxy-2-methyl-, butyl ester
CAS No:71436-85-6
MF:C9H18O3
MW:174.237423419952
CID:564466
PubChem ID:3018128
Update Time:2025-04-19
Butanoic acid,2-hydroxy-2-methyl-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-hydroxy-2-methyl-, butyl ester
- butyl 2-hydroxy-2-methylbutanoate
- butyl 2-hydroxy-2-methylbutyrate
- NS00063338
- EINECS 275-444-3
- 71436-85-6
- DTXSID60991824
- SCHEMBL7653360
-
- Inchi： 1S/C9H18O3/c1-4-6-7-12-8(10)9(3,11)5-2/h11H,4-7H2,1-3H3
- InChI Key： KQNGQDFVTYRMDN-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C(C)(CC)O)=O
Computed Properties
- Exact Mass: 174.12564
- Monoisotopic Mass: 174.125594
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 145
- 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
- Topological Polar Surface Area: 46.5
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
Experimental Properties
- Density: 0.978
- Boiling Point: 202.3°C at 760 mmHg
- Flash Point: 73.7°C
- Refractive Index: 1.44
- PSA: 46.53
Butanoic acid,2-hydroxy-2-methyl-, butyl ester Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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