Ethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropancarboxylat

Ethyl chrysanthemate

HCID 7334CAS 97-41-6

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Grundinformationen

Standard-SMILES: CCOC(=O)C1C(C=C(C)C)C1(C)C
InChIKey: VIMXTGUGWLAOFZ-UHFFFAOYSA-N
Summenformel: C12H20O2
Durchschnittliche Molmasse: 196,29 g/mol
Monoisotopische Masse: 196,14632988

Überblick

Ethyl chrysanthemumate is a monoterpenoid.

Namen und Bezeichner

Bevorzugter Name: Ethyl chrysanthemate
IUPAC: ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Lokaler Name: Ethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropancarboxylat
Englischer Name: Ethyl chrysanthemumate
Summenformel: C12H20O2
Molmasse: 196.29

Namen und Synonyme

Ethyl chrysanthemate97-41-6Chrysanthemic acid ethyl esterCYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, ETHYL ESTERDTXSID2052651NSC-10819Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl esterRefChem:596155BTF46JW4YADTXCID201079157202-579-7Ethyl chrysanthemumate

Weitere Namen anzeigen

PNP-α-D-GalEthyl chrysantCyclopropanecaTIMTEC-BB SBB007714Ethyl chrisanthemateEthyl chrysanthemat.Ethyl chrysanthemumaEthyl ChrsantheMuMate

chrysanthemic acid, ethyl esterEthyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylateEthylchrysanthemateethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateMFCD00001304ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylateEthyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylateethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

Datenbank-Bezeichner

CAS: 97-41-6
PubChem CID: 7334
DTXSID: DTXSID2052651
ChEMBL: CHEMBL1596099
ChEBI: CHEBI:228794
EC Number: 202-579-7
Nikkaji: J23.507E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 259

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance

Physikochemische Eigenschaften

Siedepunkt: 112 °C10 · 112 °C10 mm Hg(lit.)
Dichte: 0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.461(lit.)
Flammpunkt: 184 °F · 184 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Yellow
Geruch (Odor): 10 % · at 10.00 % in dipropylene glycol. herbal wine fruity everlasting flower chrysanthemum sweet
Geruchsart: herbal
BRN: 2045740 · 2045740
LogP: 4.181 · 4.181 (est)
CAS Datenbank: 97 · 97-41-6(CAS DataBase Reference)
NIST chemische Informationen: Ethyl chrysanthemate(97-41-6)
EPA chemische Informationen: 2 · Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester (97-41-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.

H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 25-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22078

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester: Environment tier I assessment

Hazard Classes and CategoriesAquatic Chronic 2 (92.9%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN1993
hs_code: 29162090
RTECS-Nr.: GZ1727000
safety_code: 24/25
hazard_class: 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl ester: INACTIVE

Anwendungen · 1 Eintrag

VerwendenEthyl Chrysanthemate is an organic building block used in the synthesis of various chemical compounds, such as insecticide, Resmethrin (R144685). It is used in the preparation of trans-norchrysanthemates and trans-norpyrethrates, having insecticidal activity.