Sumilizer AG 80 - ≥95% , CAS No.90498-90-1

CAS: 90498-90-1 Cat. No.: T304936 Fórmula: C₄₃H₆₄O₁₀ Peso molecular: 740.98 Número EC: 410-730-5 PubChem CID: 11115306

GRADE & PURITY ≥95%

Synonyms

Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diylbis(2,2-dimethyl-2,1-ethanediyl) ester | DTXSID7052606 | KBio1_001595 | KBio2_003962 | (2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methyl

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diylbis(2,2-dimethyl-2,1-ethanediyl) ester | DTXSID7052606 | KBio1_001595 | KBio2_003962 | (2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methyl

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504766024
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766024
• Sonrisas canónicas: CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)CCC4=CC(=C(C(=C4)C)O)C(C)(C)C
• IUPAC Name: [2-[3-[1-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
• InChIKey: CGRTZESQZZGAAU-UHFFFAOYSA-N
• INCHI: 1S/C43H64O10/c1-27-17-29(19-31(35(27)46)39(3,4)5)13-15-33(44)48-21-41(9,10)37-50-23-43(24-51-37)25-52-38(53-26-43)42(11,12)22-49-34(45)16-14-30-18-28(2)36(47)32(20-30)40(6,7)8/h17-20,37-38,46-47H,13-16,21-26H2,1-12H3
• Isómeros SMILES: CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)CCC4=CC(=C(C(=C4)C)O)C(C)(C)C
• PubChem CID: 11115306
• Peso molecular: 740.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Ortho cresols Toluenes Fatty acid esters Dicarboxylic acids and derivatives 1,3-dioxanes Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpropane - O-cresol - Fatty acid ester - Toluene - Phenol - Meta-dioxane - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol.
• Punto de fusión (°C): 126℃
• Peso molecular: 741.000 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 740.45 Da
• Monoisotopic Mass: 740.45 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1090.000
• 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

Preguntas frecuentes

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 at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 90498-90-1, the molecular formula is C43H64O10, and the molecular weight is 740.98 g/mol. InChIKey CGRTZESQZZGAAU-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.