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

CAS: 90498-90-1 Cat. No.: T304936 分子式: C₄₃H₆₄O₁₀ 分子量: 740.98 EC番号: 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

同義語

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

仕様と純度

≥95%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥95%

名前と識別子

• パブケム・シド: 504766024
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504766024
• カノニカル・スマイル: 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
• 異性体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
• 分子量: 740.98

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in methanol.
• 融点（°C）: 126℃
• 分子量: 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

よくある質問

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.