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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Methylbut-3-yn-2-yl acetate , CAS No.1604-29-1
Synonyms
2-methylbut-3-yn-2-yl acetate | 1,1-Dimethylprop-2-ynyl acetate | NSC5587 | EINECS 216-508-2 | 3-Butyn-2-ol, 2-methyl-, acetate | AI3-23123 | 3-Butyn-2-ol, acetate | Dimethylethynylcarbinol acetate | 3-acetoxy-3-methyl-1-butyne | 2-methylbut-3-yn-2-ylacet
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
2-methylbut-3-yn-2-yl acetate | 1, 1-Dimethylprop-2-ynyl acetate | NSC5587 | EINECS 216-508-2 | 3-Butyn-2-ol, 2-methyl-, acetate | AI3-23123 | 3-Butyn-2-ol, acetate | Dimethylethynylcarbinol acetate | 3-acetoxy-3-methyl-1-butyne | 2-methylbut-3-yn-2-ylacet
Product Properties Names and Identifiers Canonical Smiles CC(=O)OC(C)(C)C#C IUPAC Name 2-methylbut-3-yn-2-yl acetate InChIKey HBSFTVGBQDJTAW-UHFFFAOYSA-N INCHI 1S/C7H10O2/c1-5-7(3,4)9-6(2)8/h1H,2-4H3 Isomeric SMILES CC(=O)OC(C)(C)C#C PubChem CID 74144 Molecular Weight 126.15
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 Carbonyl compounds Intermediate Tree Nodes Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones Direct Parent Ynones Alternative Parents Carboxylic acid esters Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Ynone - Carboxylic acid ester - Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (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 Associated Targets(Human) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 126.150 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 126.068 Da Monoisotopic Mass 126.068 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 159.000 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
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