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· · COA & SDS available for every product · Same-day shipping on in-stock items Acetylacetone - Standard for GC, ≥99.6%(GC) , CAS No.123-54-6
GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation. ≥99.6%(GC) Synonyms
2,4-Dioxopentane|Acetylacetone;Pentane-2,4-dione|pentan-2|Pentane-2,4-dione [UN2310] [Flammable liquid]|Acetylacetone|acetyl-acetone|2,4-Pentandione|ACETYL ACETONE|Pentan-2,4-dione|ACAC|2,4-Pentadione|ACETYLACETONE [MI]|Acetyl-2-Propanone|2,4-Pentanedione|2,4-pentane-dione|Acetyl 2-propanone|2.4-pentanedione|ACETYL ACETONE [HSDB]|2,4-pentane dione|Acetoacetone|Pentanedione|ACETYLACETONE ENOL|4-Hydroxy-3-penten-2-one|Pentanedione-2,4|Hacac|Pentane-2,4-dione [UN2310] [Flammable liquid]|2-Propanone, acetyl-|Acetylaceetone|2,4 pentanedione|Acetone, acetyl-|Pentane-2,4-dione|pentane2,4-dione|pentane-2|Acetyl-2-propaneone|acetylaceton|1-methylbutane-1,3-dione
Storage
Protected from light,Room temperature,Desiccated
Shipped In
FedEx DG Service
Specifications Synonyms
2,4-Dioxopentane | Acetylacetone;Pentane-2,4-dione | pentan-2 | Pentane-2,4-dione [UN2310] [Flammable liquid] | Acetylacetone | acetyl-acetone | 2,4-Pentandione | ACETYL ACETONE | Pentan-2,4-dione | ACAC | 2,4-Pentadione | ACETYLACETONE [MI] | Acetyl-2-Propanone | 2,4-Pentanedione | 2,4-pentane-dione | Acetyl 2-propanone | 2.4-pentanedion Show more
Specifications & Purity
Standard for GC, ≥99.6%(GC)
Storage
Protected from light,Room temperature,Desiccated
Shipped In
FedEx DG Service
Names and Identifiers Canonical Smiles
CC(=O)CC(=O)C
IUPAC Name
pentane-2,4-dione
InChIKey
YRKCREAYFQTBPV-UHFFFAOYSA-N
INCHI
1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
Isomeric SMILES
CC(=O)CC(=O)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741937&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes 1,3-dicarbonyl compounds Direct Parent Beta-diketones Alternative Parents Ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents 1,3-diketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. 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) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Light sensitive. Refractive Index 1.4512 Flash Point(°F) 95.0 °F Flash Point(°C) 35℃ Boil Point(°C) 140.5°C Melt Point(°C) -23°C Molecular Weight 100.120 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 100.052 Da Monoisotopic Mass 100.052 Da Topological Polar Surface Area 34.100 Ų Heavy Atom Count 7 Formal Charge 0 Complexity 82.300 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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