Diethylphosphinic Acid
fo-d4299e2df626a490
Identity
- Type
- Neutral molecule
- CAS
- 813-76-3
- EC
- 700-732-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 52 across every transformer
Structure
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KTLIMPGQZDZPSB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H11O2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3,(H,5,6) |
| IUPAC name chemrof:IUPAC_name | Diethylphosphinic Acid |
| Molecular formula chemrof:molecular_formula | C4H11O2P |
| Molecular mass chemrof:molecular_mass | 122.104 |
| Monoisotopic mass chemrof:monoisotopic_mass | 122.049666 |
| SMILES string chemrof:smiles_string | CCP(=O)(O)CC |
Known URLs
6Where 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=813-76-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.218.833 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID20400487 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.042K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4186629 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82203490 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 530d9c6a-4aa1-4755-a55a-d93452562f8a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1e9e8e97-b6d9-4f7c-a5fc-569b40b364ec | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 96618734-a956-4332-a96e-c8b23957185c | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 8567146c-46ad-4734-99b7-0ac5edeabbb9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7251e5f9-ac7f-447b-aa58-a625ec34d55b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4c0e7c8d-22df-4960-bd8d-7217b5085470 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d1288dbb-6c38-443c-b045-6cf29ff19438 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| e7e91d9b-e5a8-4627-8f4a-b90c46fe4496 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 38f4ded9-16b1-431c-844d-052e06752ace | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 0208cdee-52c0-43ee-b80b-06ec8c7dac67 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3528eb19-b508-4d5c-8a7c-0f654748403a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e65781ce-5870-4573-97f6-a40b6bba9132 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4411d365-73bd-43fb-8c9e-4216a79da87e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (52 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-d4299e2df626a490",
"prefLabel": [
{
"@value": "Diethylphosphinic Acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H11O2P"
],
"attested_by": {
"C4H11O2P": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:4186629"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(O)CC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KTLIMPGQZDZPSB-UHFFFAOYSA-N"
],
"attested_by": {
"KTLIMPGQZDZPSB-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:4186629"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(O)CC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCP(=O)(O)CC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Diethylphosphinic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(O)CC"
]
}
],
"attested_by": {
"CCP(=O)(O)CC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H11O2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3,(H,5,6)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Diethylphosphinic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(O)CC"
]
}
],
"attested_by": {
"InChI=1S/C4H11O2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3,(H,5,6)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Diethylphosphinic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Diethylphosphinic Acid"
]
},
"attested_by": {
"Diethylphosphinic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
122.104
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(CC)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(O)CC"
]
}
],
"attested_by": {
"122.104": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
122.049666
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(CC)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCP(=O)(O)CC"
]
}
],
"attested_by": {
"122.049666": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.042K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:4186629;CAS:813-76-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[813-76-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.218.833",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:4186629;CAS:813-76-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[813-76-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=813-76-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"813-76-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID20400487",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:4186629;CAS:813-76-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[813-76-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4186629",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:4186629;CAS:813-76-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[813-76-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82203490",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:4186629;CAS:813-76-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[813-76-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0208cdee-52c0-43ee-b80b-06ec8c7dac67",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"813-76-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=813-76-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=813-76-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"700-732-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=700-732-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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