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

Pyrethrin ii

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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
C22H28O5
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
  • (+)-Pyrethronyl (+)-pyrethrate
  • 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
  • Biospray S
  • Chrysanthemumdicarboxylic acid monomethyl ester pyrethrolone ester
  • 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
  • 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
  • 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)]]-
  • 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)-
  • ENT 7,543
  • Pyrethrin
  • Pyrethrin 2
  • Pyrethrolone ester of chrsanthemumdicarboxylic acid monomethyl ester
  • Pyrethrolone, chrysanthemum dicarboxlic acid methyl ester ester
  • Pyretrin II
Sources

Physical Properties

Property Value Unit Source
Δf -129.25 kJ/mol Joback Calculated Property
Δfgas -631.95 kJ/mol Joback Calculated Property
Δfus 43.99 kJ/mol Joback Calculated Property
Δvap 86.47 kJ/mol Joback Calculated Property
logPoct/wat 3.71 Crippen Calculated Property
Pc 1315.61 kPa Joback Calculated Property
Tboil 950.08 K Joback Calculated Property
Tc 1177.90 K Joback Calculated Property
Tfus 594.42 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 998.78 J/mol×K 950.08 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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)]]-. Pyrethrin I. 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»]]-. Allethrin, isomers 1,2. Allethrin, isomers 3,4. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester. Bioallethrin. 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»)]-. 6-«alpha»(H)-Santonin. 6,11-«alpha»(H)-Santonin. «alpha»-Santonin. 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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