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

Bioallethrin

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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
  • (.+/-.)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl) cyclopropylcarboxylate
  • (.+/-.)-Allelrethonyl (.+/-.)-cis,trans-chrysanthemate
  • (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
  • 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methyl propenyl) cyclopropane carboxylic acid
  • 2-Methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
  • 3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate
  • 3-Allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate
  • 3-Allyl-4-methyl-2-oxo-3-cyclopenten-1-yl ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid
  • Allethrin
  • Allethrin-1
  • Allethrine
  • Alleviate
  • Allyl cinerin I
  • Allyl homolog of cinerin I
  • Bioaletrina
  • Chrysanthemummonocarboxylic acid, 3-allyl-3-methyl-4-oxo-2-cyclopenten-1-yl ester
  • Cinerin I allyl homolog
  • 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
  • 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-propenyl)-2-cyclopenten-1-yl ester, d-trans-
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopentene-1-yl ester
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
  • D,L-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one-D,L-chrysanthemum monocarboxylate
  • ENT 16275
  • ENT 17510
  • Exthrin
  • FDA 1446
  • FMC 249
  • Matox
  • NIA 249
  • Necarboxylic acid
  • Pallethrine
  • Pynamin
  • Pynamin-forte
  • Pyresin
  • Pyresyn
  • Pyrethrin
  • RU 27436
  • dl-Allethrin
  • trans-Allethrin
  • trans-Bioallethrin
Sources

Physical Properties

Property Value Unit Source
Δf -0.81 kJ/mol Joback Calculated Property
Δfgas -442.45 kJ/mol Joback Calculated Property
Δfus 33.23 kJ/mol Joback Calculated Property
Δvap 70.68 kJ/mol Joback Calculated Property
logPoct/wat 4.00 Crippen Calculated Property
Pc 1517.57 kPa Joback Calculated Property
Tboil 800.99 K Joback Calculated Property
Tc 1021.94 K Joback Calculated Property
Tfus 493.53 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 792.44 J/mol×K 800.99 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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. 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»]]-. Pyrethrin I. 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. 6,11-«alpha»(H)-Santonin. «alpha»-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-«alpha»(H)-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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