Compound: Bioallethrin
SMILES: O=C1C(=C(C)C(C1)OC(=O)[C@H]2C(C)(C)[C@@H]2C=C(C)C)CC=C
InChIKey: ZCVAOQKBXKSDMS-AQYZNVCMSA-N
Synonyms: Bioallethrin, trans-Allethrin, 260359-57-7, G79DM7O471, NSC-11782, CHEBI:143255, DTXSID00180679, (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, RefChem:53352, CHEBI:39117, DTXCID001507241, 249-013-5, Depallethrin, Esbiothrin, D-TRANS-ALLETHRIN, (+)-trans-Allethrin, Allethrin I, UNII-G79DM7O471, 28057-48-9, 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, Allethrine, Bioaletrina, Pallethrine, Pyresin, Pyresyn, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl trans-(+)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, 2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, 3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, D-Allethrin, Allyl cinerin I, Necarboxylic acid, Bioallethrin [BAN], Cinerin I allyl homolog, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (1R,3R)-, Allyl homolog of cinerin I, FMC 249, NIA 249, Bioaltrina, 0X03II877M, Exthrin, Allethrin coil, Binamin forte, FDA 1446, Pynamin-forte, Wasp Stopper CF, EPA Pesticide Chemical Code 004003, Allethrin [ISO], Bioallethrin [BSI], Caswell No. 025, (+)-Allelrethonyl (+)-cis,trans-chrysanthemate, Allethrin [BSI:ISO], Bioaltrina [Portuguese], Bioaletrina [Portuguese], Allethrine [ISO-French], Allethrolone ester of chrysanthemummonocarboxylic acid, BIOALLETHRIN [MART.], BIOALLETHRIN [WHO-DD], SCHEMBL411848, UNII-0X03II877M, Esbiol TM Intermediate 3336, CCRIS 2494, CHEMBL1788403, CHEBI:39118, ZCVAOQKBXKSDMS-AQYZNVCMSA-N, MSK20198, OMS 3045, EINECS 209-542-4, NSC 11782, AKOS015965038, ENT 17,510, EPA Pesticide Chemical Code 004001, LMPR0102060007, Allylrethronyl dl-cis-trans-chrysanthemate, RU 27436, AI3-17510, (+-)-Allerethonyl (+-)-cis,trans-chrysanthemate, Q27118146, (+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone, 3-Allyl-4-keto-2-methylcyclopentenyl chrysanthemummonocarboxylate, (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate, dl-3-Allyl-2-methyl-4-oxocyclopent-2-enyl dl-cis trans chrysanthemate, 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid, Chrysanthemummonocarboxylic acid, 3-allyl-3-methyl-4-oxo-2-cyclopenten-1-yl ester, D,L-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one-D,L-chrysanthemum monocarboxylate, (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one, 2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-, 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate, 2-METHYL-4-OXO-3-(2-PROPEN-1-YL)-2-CYCLOPENTEN-1-YL 2,2-DIMETHYL-3-(2-METHYL-1-PROPEN-1-YL)CYCLOPROPANECARBOXYLATE, 2-Methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecar, 2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, 3-Allyl-4-methyl-2-oxo-3-cyclopenten-1-yl ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid, 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-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester, (1R,3R)-, 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, (1R,3R)-, Esbiothrin, Esbiothrine, Bioallethrin, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (1R,3R)- (9CI), 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 (VAN), Cyclopropanecarboxylicacid,2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester,(1R,3R)-, dl-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of d-trans-2,2-dimethyl-3-(2-methylpropenyl), dl-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of dl cis/trans 2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylic acid
Theoretical properties:
molecular_formula: C19H26O3
molecular_weight: 302.4 g/mol
exact_mass: 302.18819469 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 6
heavy_atom_count: 22
topological_polar_surface_area: 43.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 165-170
density: Relative density (water = 1): 1.01
flash_point: 130 °C
vapor_pressure: Vapor pressure, Pa at 25 °C:
Descriptions:
pubchem: Bioallethrin is a partly enantiopure variant of allethrin consisting of a mixture of two allethrin isomers (1R,trans;1R and 1R,trans;1S) in an approximate ratio of 1:1. Widely registered mosquito adulticide and spatial repellent. Bioallethrin is a synthetic pyrethroid used as a pesticide against household pest insects such as mosquitoes, houseflies and cockroaches.
chebi: A partly enantiopure variant of allethrin consisting of a mixture of two allethrin isomers (1<i>R</i>,<i>trans</i>;1<i>R</i> and 1<i>R</i>,<i>trans</i>;1<i>S</i>) in an approximate ratio of 1:1. Widely registered mosquito adulticide and spatial repellent. Bioallethrin is a synthetic pyrethroid used as a pesticide against household pest insects such as mosquitoes, houseflies and cockroaches.
chembl: BIOALLETHRIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Bioallethrin is an ectoparasiticide. It consists of two of the eight stereoisomers of allethrin in any ratio.
Esbiothrin is a mixture of the same two stereoisomers, but in an approximate ratio of R:S = 1:3.
Esbioallethrin or S-bioallethrin is the pure S-form (that is, the wedge in the structure as shown in the box points down).
The name bioallethrin was a common name approved by the British Standards Institution and published in. BS 1831 has been withdrawn, and the common name has been adopted by ISO. It is also included in  and earlier editions.