Basic information
- CAS
5460-63-9- Standard SMILES
COC(=O)C1C(C=C(C)C)C1(C)C- InChIKey
ITNHSNMLIFFVQC-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- Methyl chrysanthemate
- IUPAC
- methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- English name
- methyl(±)cis，trans-2，2-dimethyl-3-(2-methyl-1-propenyl cyclopropane carboxylate)
- Molecular formula
- C11H18O2
- Molecular weight
- 0
Names & synonyms
Methyl chrysanthemate5460-63-9Methyl chrysantematemethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylateNSC 23735UNII-X71K3GHU8RX71K3GHU8RAI3-30968Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, methyl esterCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, methyl esterNSC-23735RefChem:157822
Show more names
Nsc23735methyl(±)cis,trans-2methyl (dl)-trans-chrysanthemate2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid methyl ester3-(2-Methyl-1-propenyl)-2,2-dimethylcyclopropane-1-carboxylic acid methyl ester2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylic acid methyl estermethyl(±)cis，trans-2，2-dimethyl-3-(2-methyl-1-propenyl cyclopropane carboxylate)
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, methyl ester (8CI)Cyclopropanoic acid-2,2-dimethyl-3-(2,2-dimethylethenyl), methyl esterCYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYLPROPENYL)-,METHYL ESTER435-450-0ITNHSNMLIFFVQC-UHFFFAOYSA-Nmethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylateMethyl trans-chrysanthemateMethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Database identifiers
- CAS
5460-63-9- PubChem CID
- 91127
- DTXSID
DTXSID20969862- EC Number
- 435-450-0、943-436-5
- Nikkaji
- J145.230D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 71 K3GHU8R · X71K3GHU8R
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9004
Hazard Classes and CategoriesSkin Sens. 1 (100%)；Aquatic Chronic 2 (100%)
Regulatory information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9004
Safety data
- REACH Registrations
- Inactive
Chemistry & industry
Applications
UsesMethyl chrysanthemum is an important intermediate of pyrethroids, which can be used to synthesize allethrin, promethrin, permethrin, dimethrin, metothrin, pyrethrin, and fenothrin.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers6 total
Related reactions
3 records
Compound notes
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