prallethrin - analytical standard , CAS No.23031-36-9

CAS: 23031-36-9 Cat. No.: P292557 Formula: C₁₉H₂₄O₃ Molecular Weight: 300.39 EC Number: 245-387-9 PubChem CID: 9839306

GRADE & PURITY Analytical standard

Synonyms

Prallethrin | DTXSID0032572 | C18510 | DTXCID10196509 | NCGC00254552-01 | AKOS030255345 | SMKRKQBMYOFFMU-UHFFFAOYSA-N | Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one, tran

Storage

Room temperature

Specifications

Synonyms

Prallethrin | DTXSID0032572 | C18510 | DTXCID10196509 | NCGC00254552-01 | AKOS030255345 | SMKRKQBMYOFFMU-UHFFFAOYSA-N | Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopenten-1-one, tran

Specifications & Purity

analytical standard

Storage

Room temperature

Grade

Analytical standard

Names and Identifiers

Canonical Smiles

CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C

IUPAC Name

(2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

InChIKey

SMKRKQBMYOFFMU-UHFFFAOYSA-N

INCHI

1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3

Isomeric SMILES

CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C

WGK Germany

3

PubChem CID

9839306

Molecular Weight

300.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrethroids
• Alternative Parents: Monocyclic monoterpenoids Cyclopropanecarboxylic acids and derivatives Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Pyrethroid skeleton - Monocyclic monoterpenoid - Monoterpenoid - Cyclopropanecarboxylic acid or derivatives - Cyclic ketone - Ketone - Carboxylic acid ester - Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrethroids. These are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group.
• External Descriptors: Pyrethroid insecticides

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Almost insoluble in water, soluble in hexane, xylene, ethanol and deodorizing kerosene.
• Flash Point(°F): 139 °C
• Flash Point(°C): 139°C
• Molecular Weight: 300.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 300.173 Da
• Monoisotopic Mass: 300.173 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 620.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23031-36-9, the molecular formula is C19H24O3, and the molecular weight is 300.39 g/mol. InChIKey SMKRKQBMYOFFMU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.