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Phenothrin (>85%)

CAT: 0572-TRC-P318095-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P318095-10GSize:10 g
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CAS Number
26002-80-2
Synonyms
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (3-phenoxyphenyl)methyl ester; Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-phenoxyphenyl)methyl ester (9CI); Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, m-phenoxybenzyl ester (8CI); Benzyl alcohol, m-phenoxy-, 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate (8CI); 3-Phenoxybenzyl chrysanthemate; Anchimanaito 20S; Duet; Multicide 2154; OMS 1809; OMS 1810; PT 515; Phenothrin; Phenoxythrin; Pibutin; S 2539; S 2539 (pesticide); m-Phenoxybenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate
Hazard Statement
Harmful if inhaled; UN number: UN3082; Packing Group: III
Smiles
CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C
Molecular Formula
C23 H26 O3
Molecular Weight
350.45
InChI
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
Additionnal Information
IUPAC name: (3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenothrin

Phenothrin is a cyclopropanecarboxylate ester. It has a role as a pyrethroid ester insecticide. It is functionally related to a chrysanthemic acid.

CAS Number26002-80-2
PubChem CID4767
IUPAC Name(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Molecular FormulaC23H26O3
Molecular Weight350.4
XLogP6.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity512
SMILES
CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
InChIKey
SBNFWQZLDJGRLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenothrin
CAS: 26002-80-2
CID: 4767
Formula: C23H26O3
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass350.18819469
Monoisotopic Mass350.18819469
Topological Polar Surface Area35.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes