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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,3-Heptanedione - ≥97% , CAS No.96-04-8
Synonyms
NSC 31668 | MFCD00036550 | 2,3-HEPTANDIONE [FCC] | InChI=1/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H | Valerylacetyl;Acetyl valeryl | Acetyl valeryl | Heptane-2,3-dione | AKOS015841115 | H0422 | UNII-DK55DDE86P | LS-13310 | 2,3-Heptanedione, >=97%, FG | FJPG
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
NSC 31668 | MFCD00036550 | 2, 3-HEPTANDIONE [FCC] | InChI=1/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2, 1-2H | Valerylacetyl;Acetyl valeryl | Acetyl valeryl | Heptane-2, 3-dione | AKOS015841115 | H0422 | UNII-DK55DDE86P | LS-13310 | 2, 3-Heptanedione, >=97%, FG | FJPG
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CCCCC(=O)C(=O)C IUPAC Name heptane-2,3-dione InChIKey FJPGAMCQJNLTJC-UHFFFAOYSA-N INCHI 1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3 Isomeric SMILES CCCCC(=O)C(=O)C WGK Germany 3 Molecular Weight 128.17 Reaxy-Rn 1700989 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700989&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 Alpha-diketones Alternative Parents Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Alpha-diketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as alpha-diketones. These are organic compounds containing two ketone groups on two adjacent carbon atoms. External Descriptors a small molecule 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity heat & air sensitive Refractive Index 1.449 Flash Point(°F) 41 °C Flash Point(°C) 41 °C Boil Point(°C) 64 °C/18 mmHg Melt Point(°C) 8-9°C Molecular Weight 128.169 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 128.084 Da Monoisotopic Mass 128.084 Da Topological Polar Surface Area 34.100 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 116.000 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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