Chemical Properties of Pyrethrin II (CAS 121-29-9)

InChI

InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+

InChI Key

VJFUPGQZSXIULQ-VKTMSVCMSA-N

Formula

SMILES

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

Molecular Weight¹

372.45

CAS

121-29-9

Other Names

Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-
Cyclopropaneacrylic acid, 3-carboxy-«alpha»,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one
(+)-Pyrethronyl (+)-pyrethrate
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester
Pyrethrin
Pyrethrin 2
Chrysanthemumdicarboxylic acid monomethyl ester pyrethrolone ester
ENT 7,543
Pyrethrolone, chrysanthemum dicarboxlic acid methyl ester ester
Pyrethrolone ester of chrsanthemumdicarboxylic acid monomethyl ester
Pyretrin II
Biospray S
Cyclopropanecarboxylic acid, 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1S)-2-methyl-4-oxo-3-(2Z)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1R,3R)-
2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl [1R-[1«alpha»[S*(Z)](3«beta»)-3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate

C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	-129.25	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-631.95	kJ/mol	Joback Calculated Property
Δ_fusH°	43.99	kJ/mol	Joback Calculated Property
Δ_vapH°	86.47	kJ/mol	Joback Calculated Property
log₁₀WS	-4.63		Crippen Calculated Property
logP_oct/wat	3.711		Crippen Calculated Property
McVol	298.370	ml/mol	McGowan Calculated Property
P_c	1315.61	kPa	Joback Calculated Property
I_np	[2615.00; 2629.00]
I_np	2615.00		NIST
I_np	2629.00		NIST
T_boil	950.08	K	Joback Calculated Property
T_c	1177.90	K	Joback Calculated Property
T_fus	594.42	K	Joback Calculated Property
V_c	1.145	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[998.78; 1115.75]	J/mol×K	[950.08; 1177.90]

C_p,gas	998.78	J/mol×K	950.08	Joback Calculated Property
C_p,gas	1018.67	J/mol×K	988.05	Joback Calculated Property
C_p,gas	1038.21	J/mol×K	1026.02	Joback Calculated Property
C_p,gas	1057.53	J/mol×K	1063.99	Joback Calculated Property
C_p,gas	1076.79	J/mol×K	1101.96	Joback Calculated Property
C_p,gas	1096.15	J/mol×K	1139.93	Joback Calculated Property
C_p,gas	1115.75	J/mol×K	1177.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pyrethrin II.

Sources

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