Esfenvalerate
fo-041026afb9fef419
Identity
- Type
- NeutralMolecule
- CAS
- 66230-04-4
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
What it is used for
4
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| acaricide CHEBI:22153 | A substance used to destroy pests of the subclass Acari (mites and ticks). | ChEBI |
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
21- (S)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
- (S)-α-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate
- (S,S)-Fenvalerate
- 1S,1′S-Fenvalerate
- Asana
- Asana XL
- Aα
- Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (αS)-
- Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-
- Fenvalerate (S,S)-isomer
- Fenvalerate Aα
- Fenvalerate α
- S 5602Aα
- S-Fenvalerate
- Soumi Gold
- Sumi-alfa
- Sumi-alpha
- Sumi-Gold
- Sumicidin Aα
- Sumidan
- α-Sum
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NYPJDWWKZLNGGM-RPWUZVMVSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 |
| IUPAC name chemrof:IUPAC_name | (S)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate |
| Molecular formula chemrof:molecular_formula | C25H22ClNO3 |
| Molecular mass chemrof:molecular_mass | 419.908 |
| Monoisotopic mass chemrof:monoisotopic_mass | 419.12882, 419.128821 |
| SMILES string chemrof:smiles_string | CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 |
Known URLs
17Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:4275674 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=66230-04-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39346 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.118.804 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1516 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4032667 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1891190 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7F07OXM0PP | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J18.805K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18147 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18147 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56252 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:269 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10342051 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3349 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q424851 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Esfenvalerate | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4d77ac-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a31e-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 78afb787-c801-441c-9a52-31c0e0342626 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a31d-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a31f-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a31c-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a31a-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9217-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e1dd8e1bcda0310104b97ace7ca7bbaaeab9e5aa | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a31b-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a321-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9218-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a320-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a322-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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