Chemical Properties of 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)]]- (CAS 1172-63-0)

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)]]-

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InChI
InChI=1S/C22H30O5/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/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8+,13-11+
InChI Key
WKNSDDMJXANVMK-VKTMSVCMSA-N
Formula
C22H30O5
SMILES
CCC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C(=O)OC)C2(C)C)CC1=O
Molecular Weight1
374.47
CAS
1172-63-0
Other Names
  • Cyclopropaneacrylic acid, 3-carboxy-«alpha»,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one
  • 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
  • Jasmolin II
  • Pyrethrin (Jasmolin II)
Sources

Physical Properties

Property Value Unit Source
Δf -217.09 kJ/mol Joback Calculated Property
Δfgas -757.38 kJ/mol Joback Calculated Property
Δfus 45.27 kJ/mol Joback Calculated Property
Δvap 87.14 kJ/mol Joback Calculated Property
logPoct/wat 3.94 Crippen Calculated Property
Pc 1276.42 kPa Joback Calculated Property
Tboil 953.40 K Joback Calculated Property
Tc 1179.53 K Joback Calculated Property
Tfus 596.18 K Joback Calculated Property
Vc 1.16 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1028.35 J/mol×K 953.4 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to 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)]]-.

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