Chemical Properties of Pyrethrin I (CAS 121-21-1)

Pyrethrin I

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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
Sources

Physical Properties

Property Value Unit Source
Δf 96.25 kJ/mol Joback Calculated Property
Δfgas -366.51 kJ/mol Joback Calculated Property
Δfus 38.61 kJ/mol Joback Calculated Property
Δvap 75.09 kJ/mol Joback Calculated Property
logPoct/wat 4.56 Crippen Calculated Property
Pc 1364.66 kPa Joback Calculated Property
Tboil 850.91 K Joback Calculated Property
Tc 1073.70 K Joback Calculated Property
Tfus 510.99 K Joback Calculated Property
Vc 1.06 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 886.31 J/mol×K 850.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
=CH2 1
=C< (ring) 2
-CH2- 1
=CH- 4
-CH3 5
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 1
>C=O (ring) 1

Similar Compounds

Cinerin i. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-. Bioallethrin. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester. Allethrin, isomers 1,2. Allethrin, isomers 3,4. Pyrethrin ii. Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-. «alpha»-Santonin. 6,11-«alpha»(H)-Santonin. 6-«alpha»(H)-Santonin. Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-. 8-epi-1,2-Dihydroartemisin. Guaia-1(10),11-dien-15,2-olide. 3-Acetoxyamorpha-4,7(11)-dien-8-one.

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