Bis(2-methoxyethyl) Adipate - ≥98% , CAS No.106-00-3

CAS: 106-00-3 Cat. No.: B151798 Formula: C₁₂H₂₂O₆ Peso molecolare: 262.3

GRADE & PURITY ≥98%

Synonyms

FT-0714231 | Adipic acid di(2-methoxyethyl) ester | Bis(2-methoxyethyl) hexanedioate | ADIPIC ACID bis(2-METHOXYETHYL) ESTER | di(2-Methoxyethyl)adipate | AI3-08311 | InChI=1/C12H22O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3-10H2,1-2H3 | EINECS 20

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0714231 | Adipic acid di(2-methoxyethyl) ester | Bis(2-methoxyethyl) hexanedioate | ADIPIC ACID bis(2-METHOXYETHYL) ESTER | di(2-Methoxyethyl)adipate | AI3-08311 | InChI=1/C12H22O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3-10H2,1-2H3 | EINECS 20

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488183714

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183714

Sorrisi canonici

COCCOC(=O)CCCCC(=O)OCCOC

IUPAC Name

bis(2-methoxyethyl) hexanedioate

InChIKey

GVRNUDCCYWKHMV-UHFFFAOYSA-N

INCHI

1S/C12H22O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3-10H2,1-2H3

Isomeri SMILES

COCCOC(=O)CCCCC(=O)OCCOC

Peso molecolare

262.3

Reaxy-Rn

1795829

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1795829&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.44
• Punto di ebollizione (°C): 205°C/12mmHg(lit.)
• Peso molecolare: 262.300 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 262.142 Da
• Monoisotopic Mass: 262.142 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 205.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 106-00-3, the molecular formula is C12H22O6, and the molecular weight is 262.3 g/mol. InChIKey GVRNUDCCYWKHMV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.