Cas no 7529-33-1 (6-butoxy-6-oxohexanoic acid)
6-butoxy-6-oxohexanoic acid structure
Product Name:6-butoxy-6-oxohexanoic acid
CAS No:7529-33-1
MF:C10H18O4
MW:202.247523784637
CID:1777020
PubChem ID:254533
Update Time:2025-04-21
6-butoxy-6-oxohexanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-butoxy-6-oxohexanoic acid
- hexanedioic acid, monobutyl ester
- Hexanedioic acid 1-butyl ester
- NSC78939
- UDHHXYYEUWKHMF-UHFFFAOYSA-N
- SCHEMBL365683
- NCIOpen2_004340
- NSC-78939
- 7529-33-1
- 6-Butoxy-6-oxo-hexanoic acid
- DTXSID90291889
- monobutyl adipate
- DS-005862
- hexanedioic acid monobutyl ester
-
- Inchi: 1S/C10H18O4/c1-2-3-8-14-10(13)7-5-4-6-9(11)12/h2-8H2,1H3,(H,11,12)
- InChI Key: UDHHXYYEUWKHMF-UHFFFAOYSA-N
- SMILES: O(C(CCCCC(=O)O)=O)CCCC
Computed Properties
- Exact Mass: 202.12054
- Monoisotopic Mass: 202.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 177
- 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: 1.5
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 1.054
- Boiling Point: 316.2°C at 760 mmHg
- Flash Point: 117.3°C
- Refractive Index: 1.451
- PSA: 63.6
6-butoxy-6-oxohexanoic acid Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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