Chemical Properties of Cinerin I (CAS 25402-06-6)

Cinerin I

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InChI
InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-
InChI Key
FMTFEIJHMMQUJI-FPLPWBNLSA-N
Formula
C20H28O3
SMILES
CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O
Molecular Weight1
316.43
CAS
25402-06-6
Other Names
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one
  • Cinerin
  • Chrysanthemummonocarboxilic acid, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester
  • Chrysanthemummonocarboxylic acid, cinerolone ester
  • Cinerolone, chrysanthemummonocarboxylic acid ester
  • 3-[2-Butenyl]-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, (1R-(1«alpha»(S*(Z)),3«beta»))-
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S)-3-(2Z)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-
  • Pyrethrin (Cinerin I)
  • 3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
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Physical Properties

Property Value Unit Source
Δf -0.01 kJ/mol Joback Calculated Property
Δfgas -471.30 kJ/mol Joback Calculated Property
Δfus 37.30 kJ/mol Joback Calculated Property
Δvap 73.53 kJ/mol Joback Calculated Property
log10WS -5.07 Crippen Calculated Property
logPoct/wat 4.392 Crippen Calculated Property
McVol 267.050 ml/mol McGowan Calculated Property
Pc 1420.78 kPa Joback Calculated Property
Tboil 831.35 K Joback Calculated Property
Tc 1053.34 K Joback Calculated Property
Tfus 501.48 K Joback Calculated Property
Vc 1.028 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [853.42; 969.77] J/mol×K [831.35; 1053.34] Show Hide
Cp,gas 853.42 J/mol×K 831.35 Joback Calculated Property
Cp,gas 873.89 J/mol×K 868.35 Joback Calculated Property
Cp,gas 893.74 J/mol×K 905.35 Joback Calculated Property
Cp,gas 913.10 J/mol×K 942.35 Joback Calculated Property
Cp,gas 932.13 J/mol×K 979.34 Joback Calculated Property
Cp,gas 950.97 J/mol×K 1016.34 Joback Calculated Property
Cp,gas 969.77 J/mol×K 1053.34 Joback Calculated Property

Similar Compounds

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 3,4. Allethrin, isomers 1,2. Bioallethrin. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-. 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. O-Acetylcrotavernine. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). Digitoxin. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Zinc octaethylporphyrin chloride. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to Cinerin I.

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