X Sodium (8-x) Hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n
fo-cce41470fd999ea2
Identity
- Type
- Chemical salt
- CAS
- 22036-77-7
- EC
- 244-742-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- [Ethylenebis[nitrilobis(methylene)]]tetrakisphosphonic acid sodium salt
- Ethylenediaminetetrakis(methylenephosphonic acid) sodium salt
- Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt
- Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt
- Phosphonic acid, P,P′,P′′,P′′′-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt (1:?)
- Sequion 30Na30
- Sequion D 30
- Sodium (ethylenediamine)tetramethylenephosphonate
- Sodium EDTMPA
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LTKKFPROLKSDOV-UHFFFAOYSA-F, YIPHIVFATQTYEL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H20N2O12P4.8Na/c9-21(10,11)5-3-7(23(15,16)17)1-2-8(24(18,19)20)4-6-22(12,13)14;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8 |
| IUPAC name chemrof:IUPAC_name | Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt |
| Molecular formula chemrof:molecular_formula | C6H12N2Na8O12P4, C6H20N2NaO12P4 |
| SMILES string chemrof:smiles_string | O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
Known URLs
9Where 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=15142-96-8 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=22036-77-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=29462-95-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=57956-19-1 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=61827-49-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=7651-99-2 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=92988-65-3 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.660 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/162344864 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7e0316c7-d996-420e-8045-fa5563e9b96d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| b9520d05-baea-43e2-8862-3aa41777c401 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8e24b8fd-2981-4cec-851c-1821ace30cc9 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 364cbcc0-966b-43dc-8d80-4465bccc28c2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 62b909a3-2c5e-4702-9a51-0461138baf16 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4c255898-cc78-42be-9adf-b601e27a41bf | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| a354e0cc-3003-4bc8-a6fd-3c9042922e7c | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 88fafd85-badb-478b-8622-2307c03b6639 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| f03d766e-94d4-43b1-bff8-87b2b6da0205 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 73e5e171-de76-402d-b4e5-77c95334859a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1b7483cf-cc3d-4735-a2f0-49c588cac19e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 47c7a296-3ef0-41a2-8e93-b1407ff0f8dd | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 023edc83-36b0-4162-9c97-aa2f71df2248 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-cce41470fd999ea2",
"prefLabel": [
{
"@value": "X Sodium (8-x) Hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "[Ethylenebis[nitrilobis(methylene)]]tetrakisphosphonic acid sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylenediaminetetrakis(methylenephosphonic acid) sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosphonic acid, P,P′,P′′,P′′′-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt (1:?)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sequion 30Na30",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sequion D 30",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium (ethylenediamine)tetramethylenephosphonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium EDTMPA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:22036-77-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H12N2Na8O12P4",
"C6H20N2NaO12P4"
],
"attested_by": {
"C6H20N2NaO12P4": [
"enrich_references.pubchem_semantic"
],
"C6H12N2Na8O12P4": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LTKKFPROLKSDOV-UHFFFAOYSA-F",
"YIPHIVFATQTYEL-UHFFFAOYSA-N"
],
"attested_by": {
"YIPHIVFATQTYEL-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"LTKKFPROLKSDOV-UHFFFAOYSA-F": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"
]
}
],
"attested_by": {
"O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H20N2O12P4.8Na/c9-21(10,11)5-3-7(23(15,16)17)1-2-8(24(18,19)20)4-6-22(12,13)14;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]"
]
}
],
"attested_by": {
"InChI=1S/C6H20N2O12P4.8Na/c9-21(10,11)5-3-7(23(15,16)17)1-2-8(24(18,19)20)4-6-22(12,13)14;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;/q;8*+1/p-8": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt"
]
},
"attested_by": {
"Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.040.660",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15142-96-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=22036-77-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=29462-95-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=57956-19-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=61827-49-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7651-99-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=92988-65-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[22036-77-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162344864",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:162344864;CAS:22036-77-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[22036-77-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "023edc83-36b0-4162-9c97-aa2f71df2248",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"22036-77-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=22036-77-7"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"244-742-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=244-742-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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/ChemicalSalt"
]
}
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