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

CAS: 1538-75-6 Cat. No.: P160065 Formula: C₁₀H₁₈O₃ Molecular Weight: 186.25 Beilstein Registry Number: 386552 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504752645

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

3

PubChem CID

15234

UN Number

2920

Packing Group

II

Molecular Weight

186.25

Beilstein

386552

Reaxy-Rn

386552

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Miscible with acetonitrile.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.409
• Flash Point(°F): 134.6 °F
• Flash Point(°C): 57°C
• Boil Point(°C): 193°C
• Molecular Weight: 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