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· · COA & SDS available for every product · Same-day shipping on in-stock items Diacetone alcohol - CP, ≥98% , CAS No.123-42-2
GRADE & PURITY CP ? Chemically Pure grade — moderate purity above technical grade but below analytical. Use for general lab reactions where ultra-low impurities aren't critical. ≥98% Synonyms
Diacetonalkohol(german) | NCGC00249012-01 | 4-01-00-04023 (Beilstein Handbook Reference) | Diacetonalkohol [German] | Q421486 | UN 1148 | UN1148 | Diacetonalcohol [Dutch] | Dimethyl acetonyl carbinol | Tox21_201266 | Diacetone alcohol [UN1148] [Flammable
Shipped In
FedEx DG Service
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Why this grade CP, ≥98% CP for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships FedEx DG Service 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Diacetonalkohol(german) | NCGC00249012-01 | 4-01-00-04023 (Beilstein Handbook Reference) | Diacetonalkohol [German] | Q421486 | UN 1148 | UN1148 | Diacetonalcohol [Dutch] | Dimethyl acetonyl carbinol | Tox21_201266 | Diacetone alcohol [UN1148] [Flammable
Specifications & Purity
CP, ≥98%
Shipped In
FedEx DG Service
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508812033
Canonical Smiles
CC(=O)CC(C)(C)O
IUPAC Name
4-hydroxy-4-methylpentan-2-one
InChIKey
SWXVUIWOUIDPGS-UHFFFAOYSA-N
INCHI
1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
Isomeric SMILES
CC(=O)CC(C)(C)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740440&ln=
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 Ketones Direct Parent Beta-hydroxy ketones Alternative Parents Tertiary alcohols Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Beta-hydroxy ketone - Tertiary alcohol - Organic oxide - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as beta-hydroxy ketones. These are ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group. External Descriptors Oxygenated hydrocarbons 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 Solubility Solubility in water: Completely miscible; Degree of Solubility in water: 1,000 g/l; Miscible with Alcohol,Ether Refractive Index 1.4232 Flash Point(°F) 136.4 °F - closed cup Flash Point(°C) 58 °C - closed cup Boil Point(°C) 167.9°C Melt Point(°C) -44°C Molecular Weight 116.160 g/mol XLogP3 -0.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 116.084 Da Monoisotopic Mass 116.084 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 94.700 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
Documents & Articles Citations of This Product Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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