Propaphos
fo-21280090ebeb8ff7
Identity
- Type
- Neutral molecule
- CAS
- 7292-16-2
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
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
7- 4-(methylsulfanyl)phenyl dipropyl phosphate
- 4-Methylthiophenyl dipropyl phosphate
- Kayaphos
- Kayphosnac
- O,O-Dipropyl O-4-methylthiophenyl phosphate
- Phosphoric acid, 4-(methylthio)phenyl dipropyl ester
- Phosphoric acid, p-(methylthio)phenyl dipropyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PWYIUEFFPNVCMW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-(methylsulfanyl)phenyl dipropyl phosphate |
| Molecular formula chemrof:molecular_formula | C13H21O4PS |
| Molecular mass chemrof:molecular_mass | 304.348 |
| Monoisotopic mass chemrof:monoisotopic_mass | 304.089817, 304.08982 |
| SMILES string chemrof:smiles_string | CCCOP(=O)(OCCC)Oc1ccc(SC)cc1 |
Known URLs
13Where 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:2990614 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=7292-16-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38858 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2058172 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0U4CU57BYP | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256818 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.097J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19013 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19013 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56039 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1677 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23717 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22808732 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 50719535-271f-4375-ab99-80747b30df08 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| bb563e99-3b35-4c1c-8593-10f249b0a5f0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6a25a57b-8c27-4d32-867a-2a066806162e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 70dcb931-1de4-4de0-9c1c-06021445b7ab | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b1358070-c72f-48e9-a864-a6071841d2a3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 84aaf681-8cd0-4f14-82bb-fa127af2dc3e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 7896a27b-fa8f-404d-90b5-a7ae4ddb7780 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1657dff5-df53-4dac-b2da-d2ccb94c570e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| d61ed0934789d96569b4894b65635657f9368b55 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| aa3eaa7d-703a-4ef8-9c6b-8d76b5863f3a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3532bb6b-b68d-4591-90b2-0eb2a65d3997 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 49566d2a-524c-4208-b676-f6a7dd866c9e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 9f281e4c-ec69-40c4-8e6c-2485de4b0180 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 0677e1b2-8866-497d-b13e-db9368de550f | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"7292-16-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=7292-16-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7292-16-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
"rdfs:label": "agrochemical",
"http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
"rdfs:label": "insecticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>. In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works