Ethyl chrysanthemate - CAS 97-41-6

Catalog:	BB042047
Product Name:	Ethyl chrysanthemate
CAS:	97-41-6
Synonyms:	ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

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Computed Properties

IUPAC Name:	ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Description:	Ethyl chrysanthemate (CAS# 97-41-6) is a useful research chemical.
Molecular Weight:	196.29
Molecular Formula:	C12H20O2
Canonical SMILES:	CCOC(=O)C1C(C1(C)C)C=C(C)C
InChI:	InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
InChI Key:	VIMXTGUGWLAOFZ-UHFFFAOYSA-N
Boiling Point:	112 °C (10 mmHg)
Melting Point:	0 °C
Purity:	> 95.0 % (GC)
Density:	0.906 g/cm³
Appearance:	Clear colorless to yellow liquid
Storage:	2-8 °C
MDL:	MFCD00001304
LogP:	2.78790

Publication Number	Title	Priority Date
CN-112142611-A	Synthesis process of high cis-cyhalothrin	20201023
CN-111978181-A	High-yield preparation method of ethyl chrysanthemate	20200925
CN-112142597-A	Preparation method of ethyl chrysanthemate	20200925
CN-213434364-U	Diazotization kettle for producing ethyl chrysanthemate	20200729
CN-111893061-A	Pyrethrin insecticide degradation strain, fungicide and degradation process thereof	20200720

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
19778353	20100401	Characteristics and function of Alcaligenes sp. NBRC 14130 esterase catalysing the stereo-selective hydrolysis of ethyl chrysanthemate	Journal of applied microbiology
16884887	20070104	An evaluation of four commercial HPLC chiral detectors: a comparison of three polarimeters and a circular dichroism detector	Journal of pharmaceutical and biomedical analysis
14661851	20031101	Synthesis and antiviral activity of novel trans-2,2-dimethyl cyclopropyl nucleosides	Archives of pharmacal research

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Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.146329876
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.146329876
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1