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105-99-7 | Dibutyl adipate
CAS No: 105-99-7 Catalog No: AG003PC6 MDL No:MFCD00009451
Product Description
Catalog Number:
AG003PC6
Chemical Name:
Dibutyl adipate
CAS Number:
105-99-7
Molecular Formula:
C14H26O4
Molecular Weight:
258.3538
MDL Number:
MFCD00009451
IUPAC Name:
dibutyl hexanedioate
InChI:
InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
InChI Key:
XTJFFFGAUHQWII-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCCCC(=O)OCCCC
EC Number:
203-350-4
UNII:
F4K100DXP3
NSC Number:
8086
UN Number:
3082
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.358g/mol
Monoisotopic Mass:
258.183g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Influence of plasticizer content on the transition of electromechanical behavior of PVC gel actuator. | Langmuir : the ACS journal of surfaces and colloids 20110621 |
| Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction. | Biomedical chromatography : BMC 20101001 |
| Development and application of a method for analysis of phthalates in ham sausages by solid-phase extraction and gas chromatography-mass spectrometry. | Meat science 20100301 |
| GC/MS method for the determination of adipate plasticizers in ham sausage and its application to kinetic and penetration studies. | Journal of food science 20090601 |
| Development of yeast cells displaying Candida antarctica lipase B and their application to ester synthesis reaction. | Applied microbiology and biotechnology 20070701 |
| Surface modification of poly(tetramethylene adipate-co-terephthalate) membrane via layer-by-layer assembly of chitosan and dextran sulfate polyelectrolyte multiplayer. | Colloids and surfaces. B, Biointerfaces 20070215 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Amended final report of the safety assessment of dibutyl adipate as used in cosmetics. | International journal of toxicology 20060101 |
| Crystal structure, thermal behavior and enzymatic degradation of poly(tetramethylene adipate) solution-grown chain-folded lamellar crystals. | Macromolecular bioscience 20040315 |
| Biodegradation of aliphatic homopolyesters and aliphatic-aromatic copolyesters by anaerobic microorganisms. | Biomacromolecules 20040101 |
| Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. | Chemical research in toxicology 20031001 |
| Final report on the safety assessment of Stearamide DIBA-Stearate. | International journal of toxicology 20010101 |
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