Dimethyl adipate
Product Information
Molecular Formula
C8H14O4
Molecular Weight
174.2
Description
Plasticizer
Synonyms
AKOS BBS-00004546; Adipic acid dimethyl ester; Adipic acid bis-methyl ester; Hexanedioic acid-dimethyl ester; DBE 6 DIBASIC ESTER; Dimethyl butane-1,4-dicarboxylate
IUPAC Name
dimethyl hexanedioate
SMILES
COC(=O)CCCCC(=O)OC
InChI
InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChI Key
UDSFAEKRVUSQDD-UHFFFAOYSA-N
Boiling Point
109-110°C (14 mmHg)
Melting Point
8°C
Flash Point
230 °F
Purity
>99.0%(GC)
Density
1.06 g/mL
Solubility
water, 6000 mg/L @ 25 °C (exp)
Appearance
Colorless liquid
Application
This product is suitable for scientific research.
Storage
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.43
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases reducing agents.
LogP
1.03 (LogP);log Kow= 1.03
Vapor Pressure
0.06 mmHg ( 20 °C)
Computed Properties
XLogP3
1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
7
Exact Mass
174.08920892 g/mol
Monoisotopic Mass
174.08920892 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
135
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114038610-A | Organic carrier for battery silicon wafer metallization process and preparation method thereof | 2022-01-10 |
| CN-114149545-A | Aqueous epoxy resin emulsion, its preparation method and application | 2021-12-31 |
| CN-114145315-A | Pyrethrum extract emulsion in water and preparation method thereof | 2021-12-29 |
| CN-114180844-A | Lithium-tellurium-silicon binary glass oxide composite system and conductive paste containing same | 2021-12-29 |
| CN-114038608-A | Low-resistivity solar cell conductive paste | 2021-12-24 |
| CN-114133911-A | Solvent-free bi-component polyurethane adhesive and application thereof | 2021-12-23 |
| JP-2022027914-A | Polyester film. | 2021-12-15 |
| CN-113897190-A | Surfactant for improving water injection efficiency of low-permeability reservoir and preparation method and application thereof | 2021-12-10 |
| CN-114181382-A | Unsaturated fatty diacid-based polyester polyol and synthetic method thereof | 2021-12-10 |
| CN-113956451-A | Degradable high-gas-barrier polyester-polycarbonate copolymer, preparation method and application | 2021-12-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22389769 | 2011-01-01 | Effect of alcohol structure on the optimum condition for novozym 435-catalyzed synthesis of adipate esters | Biotechnology research international |
| 20632329 | 2010-08-01 | Lipase-catalyzed dimethyl adipate synthesis: response surface modeling and kinetics | Biotechnology journal |
| 19350935 | 2009-03-01 | Characterization of pyrolysis products from a biodiesel phenolic urethane binder | Environmental science & technology |
| 21202614 | 2008-05-17 | Bis(4-pyridylmeth-yl) hexa-nedioate | Acta crystallographica. Section E, Structure reports online |
| 18619348 | 2008-04-01 | [A new flavonoid from heartwood of Caesalpinia sappan] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
| 18544239 | 2008-01-01 | Preparation and characterization of hydroxyapatite/poly(ethylene adipate) hybrid composites | Journal of biomaterials science. Polymer edition |
| 18605676 | 2008-01-01 | Chemoenzymatic synthesis and chemical recycling of sustainable polyurethanes | ChemSusChem |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 16572997 | 2006-02-01 | [GC-MS analysis of the fatty components of pollen Typhae before and after being carbonized] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
| 16645991 | 2006-01-01 | Matrix-assisted laser desorption/ionization time-of-flight/time-of-flight tandem mass spectra of poly(butylene adipate) | Rapid communications in mass spectrometry : RCM |
