Pivalic Anhydride - ≥98%(GC) , CAS No.1538-75-6

CAS: 1538-75-6 Cat. No.: P160065 Fórmula: C₁₀H₁₈O₃ Peso molecular: 186.25 Beilstein Registry Number: 386552 Número CE: 216-263-1 PubChem CID: 15234

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0653303 | Piv2O | InChI=1/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3 | TRIMETHYL ACETIC ANHYDRIDE | trimethylacetic acid anhydride | Trimethylacetic anhydride | 2,2-dimethylpropanoyl2,2-dimethylpropanoate | EN300-1692861 | MS-20247 | DTXSID60101457

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

Trimethylacetic anhydride was used: . in solid-phase oligonucleotide synthesis . in kinetic resolution of racemic 2-hydroxy-γ-butyrolactones with diphenylacetic acid . as acylation and esterification reagent for anilines . as acylation and esterification reagent for phenols

Specifications

Sinónimos

FT-0653303 | Piv2O | InChI=1/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3 | TRIMETHYL ACETIC ANHYDRIDE | trimethylacetic acid anhydride | Trimethylacetic anhydride | 2,2-dimethylpropanoyl2,2-dimethylpropanoate | EN300-1692861 | MS-20247 | DTXSID60101457

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504752645

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752645

Sorrisos canónicos

CC(C)(C)C(=O)OC(=O)C(C)(C)C

IUPAC Name

2,2-dimethylpropanoyl 2,2-dimethylpropanoate

InChIKey

PGZVFRAEAAXREB-UHFFFAOYSA-N

INCHI

1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3

SMILES isoméricas

CC(C)(C)C(=O)OC(=O)C(C)(C)C

WGK Alemanha

3

PubChem CID

15234

Número UN

2920

Grupo de embalagem

II

Peso molecular

186.25

Beilstein

386552

Reaxy-Rn

386552

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Propriedades químicas e físicas

• Solubilidade: Miscible with acetonitrile.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.409
• Ponto de inflamação (°F): 134.6 °F
• Ponto de inflamação (°C): 57°C
• Ponto de ebulição (°C): 193°C
• Peso molecular: 186.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 186.126 Da
• Monoisotopic Mass: 186.126 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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