Consensus flow list

Identity

Type
NeutralMolecule
CAS
18854-01-8
EC
242-624-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
66 across every transformer

Structure

Structure diagram for Isoxathion

What it is used for

3

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
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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SDMSCIWHRZJSRN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate
Molecular formula chemrof:molecular_formula C13H16NO4PS
Molecular mass chemrof:molecular_mass 313.315
Monoisotopic mass chemrof:monoisotopic_mass 313.053766, 313.05377
SMILES string chemrof:smiles_string CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1

Known URLs

19

Where 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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=18854-01-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34801 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.734 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0042080 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182191 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IRA3YFG6CX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.456H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14580 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14580 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55032 enrich_references.pubchem_identifier_url
patent patent:EG17168 enrich_references.chebi_xrefs
patent patent:NZ190244 enrich_references.chebi_xrefs
ppdb ppdb:413 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29307 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24418711 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9004458 enrich_references.chebi_xrefs
reaxys reaxys:1222135 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q426373 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isoxathion enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
4ace6abd-b424-4bbd-8510-b30d0d7ed235 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
da169d7f-8968-4440-85c6-310594278487 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a1972347-0c40-4012-9103-8a7ee1deabfa Environmental → Air → Indoor EF 3.1 kg 2
0844a612-5e22-4147-876e-d6ca5b215d2b Environmental → Air → Long-term EF 3.1 kg 0
fa131897-758b-49eb-b233-9be072ff325e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9a765134-fc8c-4c5f-af0a-f7370b29ba3c Environmental → Air → Unknown EF 3.1 kg 2
dd4678af-8889-4f8b-b7a2-92281b47a924 Environmental → Ground → Agricultural EF 3.1 kg 2
ad572f56-992f-472c-a6f1-adadbca46813 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a8dcb8512e7a4e6b10d537528f6364454c5e3fa7 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
ef93f903-bfa6-4246-9bb8-eee9be369d8f Environmental → Ground → Unknown EF 3.1 kg 2
38d03c30-e510-44b6-86a5-25597bd16923 Environmental → Water → Long-term EF 3.1 kg 0
0caf3656-c9e0-4466-acb8-b8e5030b37ce Environmental → Water → Ocean EF 3.1 kg 2
069ba664-be2d-401c-bb2f-989f5c15f0d4 Environmental → Water → Surface water EF 3.1 kg 2
5dd08733-eef8-4a7f-8bab-f2477d239832 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (66 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3d7967c7df233ed1",
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    {
      "@value": "Isoxathion",
      "@language": "en",
      "@lang": "en",
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      }
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  ],
  "altLabel": [
    {
      "@value": "3-Isoxazolol, 5-phenyl-, O-ester with O,O-diethyl phosphorothioate",
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    },
    {
      "@value": "Karphos",
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    },
    {
      "@value": "O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate",
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    {
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      "@value": "O,O-diethyl O-(5-phenylisoxazol-3-yl) thiophosphate",
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