chempirical

Allethrin

C19H26O3CAS 584-79-2302.41 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C19H26O3
Molar mass
302.41 g/mol
Exact mass
302.1882 Da
Density
1.01 g/mL (at 20 °C)
Melting point
4 °C
Boiling point
140 °C (at 0.1 Torr)
logP
4.00Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 142 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, P501

Identifiers

CAS number
584-79-2
SMILES
C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O
InChIKey
ZCVAOQKBXKSDMS-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

32 names · show all
  • 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-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester
  • Chrysanthemummonocarboxylic acid, 3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester
  • 2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-, 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate
  • 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid
  • 3-Allyl-4-keto-2-methylcyclopentenyl chrysanthemummonocarboxylate
  • 3-Allyl-4-methyl-2-oxo-3-cyclopenten-1-yl ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid
  • 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
  • Pynamin
  • ENT 17510
  • (±)-Allerethonyl (±)-cis,trans-chrysanthemate
  • Allyl cinerin I
  • Dl-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester with dl-chrysanthemummonocarboxylic acid
  • (±)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (±)-cis,trans-chrysanthemummonocarboxylate
  • Pyresyn
  • Allethrine
  • trans-Allethrin
  • Exthrin
  • Wasp stopper CF
  • Matox
  • RU 27436
  • EBT
  • OMS 3045
  • 2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
  • NSC 11782
  • Dl-Allethrin
  • 3-(2-Propenyl)-2-methyl-4-oxo-2-cyclopentenyl 3,3-dimethyl-2-(2-methyl-1-propenyl)cyclopropanecarboxylate
  • Dl, d-T80 allethrin
  • Depallethrin
  • Depallethrine
  • Allethrins

Work with Allethrin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-trans-Allethrin28434-00-6Defined stereoisomer Allethrin84030-86-4

Similar compounds

Prallethrin23031-36-970 % similar Pyrethrins8003-34-766 % similar Terallethrin15589-31-864 % similar Pyrethrin II121-29-962 % similar Ethyl chrysanthemate97-41-646 % similar d-trans-Tetramethrin1166-46-744 % similar Tetramethrin7696-12-044 % similar Empenthrin54406-48-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-(Methoxymethyl)phenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate34388-29-9 2-Methoxyestradiol362-07-2 19-Hydroxyandrostenedione510-64-5 9Alpha-Hydroxyandrost-4-ene-3,17-dione560-62-3 7-Keto-dehydroepiandrosterone566-19-8 Formestane566-48-3

Elsewhere

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