Ethyl chrysanthemate - ≥95% , CAS No.97-41-6

CAS: 97-41-6 Cat. No.: E103553 Fórmula: C₁₂H₂₀O₂ Peso molecular: 196.29 Beilstein Registry Number: 2045740 Número CE: 202-579-7

GRAU & PUREZA ≥95%

Synonyms

Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate|Chrysanthemummonocarboxylic acid, ethyl ester|Chrysanthemylmonocarboxylic Acid Ethyl Ester|Ethyl chrysanthemate|Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylic Acid Ethyl Ester|chrysanthemic acid, ethyl ester|Ethyl chrysanthemumate|Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester|CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, ETHYL ESTER|Chrysanthemum-monocarboxlic acid ethyl ester|SDCCGMLS-0066640.P001|ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|Ethylchrysanthemate|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester|ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane Carboxylic Acid Ethyl Ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ethyl ester|chrysanthemic acidethyl ester|Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate #|Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester|ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|Ethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate

Storage

Room temperature

Shipped In

Normal

Visão geral

Ethyl chrysanthemate is an allelochemical compound used as an attractant

Especificações

Sinónimos

Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate | ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate | ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate | Chrysanthemummonocarboxylic acid, ethyl ester | Chrysanthemylmonocarboxylic Acid Ethyl Ester | Ethyl chrysanthemate | Ethyl 2 Show more

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488180383

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180383

Sorrisos canónicos

CCOC(=O)C1C(C1(C)C)C=C(C)C

IUPAC Name

ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

InChIKey

VIMXTGUGWLAOFZ-UHFFFAOYSA-N

INCHI

1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3

SMILES isoméricas

CCOC(=O)C1C(C1(C)C)C=C(C)C

WGK Alemanha

2

RTECS

GZ1727000

Peso molecular

196.29

Beilstein

2045740

Reaxy-Rn

2045740

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045740&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Monocyclic monoterpenoids
• Alternative Parents: Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocyclic monoterpenoid - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
• External Descriptors: Not available

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

Alvos associados (humanos)

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.461
• Ponto de inflamação (°F): 183.2 °F
• Ponto de inflamação (°C): 84 °C
• Ponto de ebulição (°C): 112°C/10mmHg
• Peso molecular: 196.290 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1