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

CAS: 1538-75-6 Cat. No.: P160065 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

References

1. Ma Yufeng, Kou Zhimin, Jia Puyou, Zhou Jing.  (2021)  Effect of benzene ring and alkane chain contained bio-based plasticizers on the plasticizing performance of polyvinyl chloride films.  CHEMICAL PAPERS,  75  (10): (5515-5521).  [PMID:] [10.1007/s11696-021-01629-4]

2. Cuiping Zhou, Xuan Zhao, Xiaoyun Zhao, Hui Li, Shuxiang Zhang, Wei Feng, Yongming Zhang.  (2020)  Low Ice Adhesion Surfaces Based on Flexible Fluorinated Polymers with a Polynorbornene Backbone.  ACS Applied Materials & Interfaces,      [PMID:33196187] [10.1021/acsami.0c15627]

3. Hong-ying Chu, Chuan Gao, Shuai Huang, Xin-Ding Yao.  (2024)  DL-Isoborneol esters as nontoxic main plasticizers for polyvinyl chloride with improved processability, thermal stability, and mechanical performance.  JOURNAL OF VINYL & ADDITIVE TECHNOLOGY,      [PMID:] [10.1002/vnl.22126]

4. Guangzeng Luo, Feng Xu, Kai Gong, Zhilu Gao, Qianqian Hou, Yintan Huang, Shuangshuang Hu, Chuanyong Zong, Lan Lei, Hui Li.  (2024)  Pressure-Responsive Self-Lubricating Ice-Phobic Organogel with High Mechanical Strength from Fluorinated Polynorbornene Networks.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c01190]

5. Guangzeng Luo, Zhilu Gao, Cuiping Zhou, Yintan Huang, Shuangshuang Hu, Yifan Hu, Chuanyong Zong, Lan Lei, Hui Li.  (2024)  Well-Tailored Norbornene-Based Fluorinated Copolymers toward Modulating Icephobicity and Mechanical Robustness.  LANGMUIR,      [PMID:38781461] [10.1021/acs.langmuir.4c01329]

6. Dan Wei, Kai Ma, Lei Ni, Ahmed Mebarki, Gang Fu, Juncheng Jiang.  (2025)  Thermal safety upgrading: Batch-to-flow transition of acid-catalyzed tert-butyl peroxypivalate synthesis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168103]