Chemical Properties of 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»]]- (CAS 4466-14-2)

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»]]-

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InChI
InChI=1S/C21H30O3/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/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8+
InChI Key
NZKIRHFOLVYKFT-CMDGGOBGSA-N
Formula
C21H30O3
SMILES
CCC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O
Molecular Weight1
330.46
CAS
4466-14-2
Other Names
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one
  • Jasmolin I
  • Jasmoline I
  • Pyrethrin (Jasmolin I)
Sources

Physical Properties

Property Value Unit Source
Δf 8.41 kJ/mol Joback Calculated Property
Δfgas -491.94 kJ/mol Joback Calculated Property
Δfus 39.89 kJ/mol Joback Calculated Property
Δvap 75.76 kJ/mol Joback Calculated Property
logPoct/wat 4.78 Crippen Calculated Property
Pc 1323.28 kPa Joback Calculated Property
Tboil 854.23 K Joback Calculated Property
Tc 1074.28 K Joback Calculated Property
Tfus 512.75 K Joback Calculated Property
Vc 1.08 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 914.13 J/mol×K 854.23 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (ring) 1
=C< (ring) 2
-CH2- 2
=C< 1
=CH- 3
-CH3 6
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 1

Similar Compounds

Cinerin i. Pyrethrin I. 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. Bioallethrin. Allethrin, isomers 3,4. 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 ii. «alpha»-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»)]-. 6,11-«alpha»(H)-Santonin. 8-epi-1,2-Dihydroartemisin. Guaia-1(10),11-dien-15,2-olide. 3-Acetoxyamorpha-4,7(11)-dien-8-one.

Find more compounds similar to 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»]]-.

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