Chemical Properties of Bioallethrin (CAS 584-79-2)

Bioallethrin

InChI
InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
InChI Key
ZCVAOQKBXKSDMS-UHFFFAOYSA-N
Formula
C19H26O3
SMILES
C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O
Molecular Weight1
302.41
CAS
584-79-2
Other Names
  • Allethrin
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
  • (.+/-.)-Allelrethonyl (.+/-.)-cis,trans-chrysanthemate
  • Allethrine
  • Allyl cinerin I
  • Cinerin I allyl homolog
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopentene-1-yl ester
  • ENT 17510
  • Pynamin
  • Pyresyn
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester
  • (.+/-.)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl) cyclopropylcarboxylate
  • trans-Bioallethrin
  • trans-Allethrin
  • Allyl homolog of cinerin I
  • Bioaletrina
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, d-trans-
  • dl-Allethrin
  • D,L-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one-D,L-chrysanthemum monocarboxylate
  • ENT 16275
  • FDA 1446
  • FMC 249
  • Necarboxylic acid
  • NIA 249
  • Pallethrine
  • Pyresin
  • Pyrethrin
  • 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methyl propenyl) cyclopropane carboxylic acid
  • 3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate
  • 3-Allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate
  • (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
  • 2-Methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
  • Alleviate
  • Allethrin-1
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester
  • Chrysanthemummonocarboxylic acid, 3-allyl-3-methyl-4-oxo-2-cyclopenten-1-yl ester
  • Exthrin
  • Matox
  • Pynamin-forte
  • RU 27436
  • 3-Allyl-4-methyl-2-oxo-3-cyclopenten-1-yl ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid
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Physical Properties

Property Value Unit Source
ΔfusH° 34.81 kJ/mol Joback Calculated Property
logPoct/wat 4.002 Crippen Calculated Property
McVol 252.960 ml/mol McGowan Calculated Property
Inp [2034.00; 2065.00]   Show Hide
Inp 2034.00 NIST
Inp 2053.00 NIST
Inp 2065.00 NIST
Inp 2034.00 NIST
Inp 2065.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [785.27; 894.81] J/mol×K [783.12; 1002.31] Show Hide
Cp,gas 785.27 J/mol×K 783.12 Joback Calculated Property
Cp,gas 805.13 J/mol×K 819.65 Joback Calculated Property
Cp,gas 824.17 J/mol×K 856.18 Joback Calculated Property
Cp,gas 842.53 J/mol×K 892.72 Joback Calculated Property
Cp,gas 860.34 J/mol×K 929.25 Joback Calculated Property
Cp,gas 877.72 J/mol×K 965.78 Joback Calculated Property
Cp,gas 894.81 J/mol×K 1002.31 Joback Calculated Property

Similar Compounds

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. 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»]]-. 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. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Zinc octaethylporphyrin chloride. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. (E)-Cnidimine.

Find more compounds similar to Bioallethrin.

Sources

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