Ethyl Chrysanthemate

CAT: 0572-TRC-E903480-25GSize: 25 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-E903480-25GSize:25 g

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CAS Number

97-41-6

Synonyms

2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylic Acid Ethyl Ester; Chrysanthemummonocarboxylic Acid Ethyl Ester; 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic Acid Ethyl Ester; Chrysanthemic Acid Ethyl Ester; Chrysanthemumic Acid Ethyl Ester; Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate; Ethyl chrysanthemumate; NSC 10819;

Hazard Statement

Combustible liquid and vapour.

Purity

>95% (GC)

Smiles

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

Molecular Formula

C12H20O2

Molecular Weight

196.29

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Ethyl chrysanthemate

Ethyl chrysanthemumate is a monoterpenoid.

CAS Number	97-41-6
PubChem CID	7334
IUPAC Name	ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Molecular Formula	C12H20O2
Molecular Weight	196.29
XLogP	4.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	259

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

InChIKey

VIMXTGUGWLAOFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 97-41-6

CID: 7334

Formula: C12H20O2

MW: 196.29

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	196.29
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	196.146329876
Monoisotopic Mass	196.146329876
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Ethyl Chrysanthemate

Chemical Information

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