Chemical Properties of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]- (CAS 121-21-1)

InChI

InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-

InChI Key

ROVGZAWFACYCSP-HJWRWDBZSA-N

Formula

C21H28O3

SMILES

C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O

Molecular Weight¹

328.45

CAS

121-21-1

Other Names

• (+)-Pyrethronyl (+)-trans-chrysanthemate
• (1S)-2-Methyl-4-oxo-3-[(2Z)-2,4-pentadienyl]-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, (1R,3R)-
• 2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1«alpha»[S*(Z)],3«beta»]]-chrysanthemate
• Chrysanthemummonocarboxylic acid pyrethrolone ester
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S)-2-methyl-4-oxo-3-(2Z)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1R,3R)-
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one
• Piretrina 1
• Pyrethrin I
• Pyrethrolone, chrysanthemum monocarboxylic acid ester
• Rcra waste number P008

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.61	kJ/mol	Joback Calculated Property
logPoct/wat	4.558		Crippen Calculated Property
McVol	276.840	ml/mol	McGowan Calculated Property
Inp	[2297.00; 2314.00]
Inp	2314.00		NIST
Inp	2297.00		NIST
Inp	2314.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[886.31; 1003.91]	J/mol×K	[850.91; 1073.70]
Cp,gas	886.31	J/mol×K	850.91	Joback Calculated Property
Cp,gas	906.77	J/mol×K	888.04	Joback Calculated Property
Cp,gas	926.67	J/mol×K	925.17	Joback Calculated Property
Cp,gas	946.18	J/mol×K	962.31	Joback Calculated Property
Cp,gas	965.45	J/mol×K	999.44	Joback Calculated Property
Cp,gas	984.64	J/mol×K	1036.57	Joback Calculated Property
Cp,gas	1003.91	J/mol×K	1073.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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