The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Dimethyl adipate - reagent grade,98%, high purity , CAS No.627-93-0
Basic Description
Synonyms
Dimethyl 1,6-hexanedioate | AI3-00668 | J-660024 | MLS001065612 | EC 211-020-6 | BY71RX0R62 | hexanedioic acid dimethyl ester | Hexanedioic acid, 1,6-dimethyl ester | Tox21_201912 | BBL011467 | CHEBI:34715 | Dimethyl adipate, 98% | DIMETHYL ADIPATE [INCI]
Specifications & Purity
CP, ≥98%
Shipped In
Normal
Grade
CP
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Fatty acid methyl esters
Alternative Parents
Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
External Descriptors
fatty acid methyl ester
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
dimethyl hexanedioate
INCHI
InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChIKey
UDSFAEKRVUSQDD-UHFFFAOYSA-N
Smiles
COC(=O)CCCCC(=O)OC
Isomeric SMILES
COC(=O)CCCCC(=O)OC
WGK Germany
1
RTECS
AV1645000
Molecular Weight
174.19
Beilstein
1707443
Reaxy-Rn
1707443
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707443&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive.
Refractive Index
1.4285
Flash Point(°F)
107℃
Flash Point(°C)
107℃
Boil Point(°C)
215-225 °C
Melt Point(°C)
8°C
Molecular Weight
174.190 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
7
Exact Mass
174.089 Da
Monoisotopic Mass
174.089 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
135.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
15 Citations
G2107134