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· · COA & SDS available for every product · Same-day shipping on in-stock items Trimethyl Orthoisobutyrate - ≥98% , CAS No.52698-46-1
Synonyms
1,1,1-trimethoxyisobutane | AKOS011075596 | 1,1,1-TRIMETHOXY-2-METHYLPROPANE | 1,1,1-trimethoxy-2-methyl-propane | MFCD08276428 | T2208 | E32PTH6Z4R | Orthoisobutyric Acid Trimethyl Ester | A829208 | FT-0640096 | EC 678-536-5 | TRIMETHYLORTHOISOBUTYRATE |
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1, 1, 1-trimethoxyisobutane | AKOS011075596 | 1, 1, 1-TRIMETHOXY-2-METHYLPROPANE | 1, 1, 1-trimethoxy-2-methyl-propane | MFCD08276428 | T2208 | E32PTH6Z4R | Orthoisobutyric Acid Trimethyl Ester | A829208 | FT-0640096 | EC 678-536-5 | TRIMETHYLORTHOISOBUTYRATE |
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 504753600 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504753600 Canonical Smiles CC(C)C(OC)(OC)OC IUPAC Name 1,1,1-trimethoxy-2-methylpropane InChIKey BGLARIMANCDMQX-UHFFFAOYSA-N INCHI 1S/C7H16O3/c1-6(2)7(8-3,9-4)10-5/h6H,1-5H3 Isomeric SMILES CC(C)C(OC)(OC)OC PubChem CID 40495 UN Number 3272 Molecular Weight 148.2 Reaxy-Rn 1737300
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Ortho esters Intermediate Tree Nodes Not available Direct Parent Ortho esters Alternative Parents Carboxylic acid orthoesters Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H). 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture Sensitive Refractive Index 1.4000-1.4040 Flash Point(°C) 35 °C Molecular Weight 148.200 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 148.11 Da Monoisotopic Mass 148.11 Da Topological Polar Surface Area 27.700 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 78.600 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
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