Consensus flow list

Fosetyl-aluminum

fo-a1504d918f4f0dbb

Identity

Type
ChemicalSalt
CAS
39148-24-8
EC
254-320-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Fosetyl-aluminum

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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
fungicide CHEBI:24127 A substance used to destroy fungal pests. 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

30

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OIPMQULDKWSNGX-UHFFFAOYSA-N, ZKZMJOFIHHZSRW-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3, InChI=1S/3C2H7O3P.Al/c3*1-2-5-6(3)4;/h3*6H,2H2,1H3,(H,3,4);/q;;;+3/p-3
IUPAC name chemrof:IUPAC_name aluminum tris(1-phosphooxyethane)
Molecular formula chemrof:molecular_formula Al.3C2H6O3P, C6H15AlO9P3+3
SMILES string chemrof:smiles_string CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3], [Al+3].[H]P(=O)([O-])OCC.[H]P(=O)([O-])OCC.[H]P(=O)([O-])OCC

Known URLs

17

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
agr agr:IND500602767 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=39148-24-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84033 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020643 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251448 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3979UH4J7X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.387G enrich_references.pubchem_identifier_url
patent patent:EP2319323 enrich_references.chebi_xrefs
patent patent:NZ583584 enrich_references.chebi_xrefs
pesticides pesticides:fosetyl-aluminium enrich_references.chebi_xrefs
ppdb ppdb:363 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6328269 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/17390852 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20352944 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24361796 enrich_references.chebi_xrefs
reaxys reaxys:8162646 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q16185870 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d5075-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
3e4d5077-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
6f8463a4-0551-4a3a-9693-6f24c35ec9db Environmental → Air → Indoor EF 3.1 kg 6
3e4d5074-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
3e4d5076-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
3e4d5073-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-9433-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a630-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
df31b96e2cfe036e0355cc1c160520a397ecd10a Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9434-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-9436-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a631-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
08a91e70-3ddc-11dd-9435-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a62f-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Efosite Al",
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    {
      "@value": "Fosethyl Al",
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    },
    {
      "@value": "Fosetyl Al",
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    {
      "@value": "Fosetyl aluminum",
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    {
      "@value": "Kilate",
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    },
    {
      "@value": "LS 74-783",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosethyl Al",
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    {
      "@value": "Phosethyl aluminum",
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    },
    {
      "@value": "Phosphonic acid monoethyl ester aluminum salt",
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    {
      "@value": "Phosphonic acid, monoethyl ester, aluminum salt",
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      "@value": "Phosphonic acid, monoethyl ester, aluminum salt (3:1)",
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    },
    {
      "@value": "Signature 80 WDG",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Sinophos",
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    },
    {
      "@value": "Yilinlu",
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