Dibenzyl Adipate - ≥95% , CAS No.2451-84-5

CAS: 2451-84-5 Cat. No.: D155859 Formule: C₂₀H₂₂O₄ Poids moléculaire: 326.39 Numéro CE: 219-516-4

GRADE & PURITY ≥95%

Synonyms

AS-66595 | Hexanedioic acid,1,6-bis(phenylmethyl)ester | Hexanedioic acid,1,6-bis(phenylmethyl) ester | X8CKX63ROM | Dibenzyl adipate | A877891 | Hexanedioic acid, 1,6-bis(phenylmethyl) ester | Dibenzyl hexanedioate | 1,6-dibenzyl hexanedioate | DibenzylA

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AS-66595 | Hexanedioic acid,1,6-bis(phenylmethyl)ester | Hexanedioic acid,1,6-bis(phenylmethyl) ester | X8CKX63ROM | Dibenzyl adipate | A877891 | Hexanedioic acid, 1,6-bis(phenylmethyl) ester | Dibenzyl hexanedioate | 1,6-dibenzyl hexanedioate | DibenzylA

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1=CC=C(C=C1)COC(=O)CCCCC(=O)OCC2=CC=CC=C2

IUPAC Name

dibenzyl hexanedioate

InChIKey

AEUORZZHALJMBM-UHFFFAOYSA-N

INCHI

1S/C20H22O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2

Isomères SMILES

C1=CC=C(C=C1)COC(=O)CCCCC(=O)OCC2=CC=CC=C2

Poids moléculaire

326.39

Reaxy-Rn

1892058

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1892058&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 36 °C
• Poids moléculaire: 326.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 326.152 Da
• Monoisotopic Mass: 326.152 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 332.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place.

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 2451-84-5, the molecular formula is C20H22O4, and the molecular weight is 326.39 g/mol. InChIKey AEUORZZHALJMBM-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.