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 HEXANEDIOATE; DIMETHYL BUTANE-1,4-DICARBOXYLATE; DIMETHYL ADIPATE
IUPAC Name
dimethyl hexanedioate
Canonical 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
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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