프랄레트린 - 분석 표준 , CAS No.23031-36-9

CAS: 23031-36-9 Cat. No.: P292557 분자식: C₁₉H₂₄O₃ 분자량: 300.39 EC 번호: 245-387-9 PubChem CID: 9839306

등급 & 순도 Analytical standard

Synonyms

프랄레트린 | DTXSID0032572 | C18510 | DTXCID10196509 | NCGC00254552-01 | AKOS030255345 | SMKRKQBMYOFFMU-UHFFFAOYSA-N | 사이클로프로판카복실산, 2,2-디메틸-3-(2-메틸프로페닐)-, 4-hydroxy-3-methyl-2-(2-프로피닐)-2-cyclopenten-1-one, 에스테르와 tran

Storage

Room temperature

사양

동의어

프랄레트린 | DTXSID0032572 | C18510 | DTXCID10196509 | NCGC00254552-01 | AKOS030255345 | SMKRKQBMYOFFMU-UHFFFAOYSA-N | 사이클로프로판카복실산, 2,2-디메틸-3-(2-메틸프로페닐)-, 4-hydroxy-3-methyl-2-(2-프로피닐)-2-cyclopenten-1-one, 에스테르와 tran

사양 및 순도

분석 표준

보관 조건

Room temperature

등급

분석 표준물질

이름과 식별자

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

PubChem CID

9839306

분자량

300.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Almost insoluble in water, soluble in hexane, xylene, ethanol and deodorizing kerosene.
• 발화점(°F): 139 °C
• 발화점(°C): 139°C
• 분자량: 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

자주 묻는 질문

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.