Ethyl chrysanthemate

HCID 7334CAS 97-41-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C1C(C=C(C)C)C1(C)C
InChIKey
VIMXTGUGWLAOFZ-UHFFFAOYSA-N
Molecular formula
C12H20O2
Average molar mass
196.29 g/mol
Monoisotopic mass
196.14632988

Overview

Ethyl chrysanthemumate is a monoterpenoid.

Names & identifiers

Preferred name
Ethyl chrysanthemate
IUPAC
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
English name
Ethyl chrysanthemumate
Molecular formula
C12H20O2
Molecular weight
196.29

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

FragrancesFragrance

Physicochemical properties

Boiling point
112 °C10 · 112 °C10 mm Hg(lit.)
Density
0.906 g/mL · 0.906 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.461(lit.)
Flash point
184 °F · 184 °F
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Safety data

wgk
2
tsca
TSCA listed
rtecs
GZ1727000
ridadr
UN1993
hs_code
29162090
Signal word
Warning

Chemistry & industry

Uses & manufacturing

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

UsesEthyl 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.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

19 records
New reaction record

Linked notes

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