Neodecanoic Acid, Cobalt Salt
fo-f4148bad3256b3e9
Identity
- Type
- Chemical salt
- CAS
- 27253-31-2
- EC
- 248-373-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
5- 740C
- CN 20.5
- Cobalt neodecanoate
- Neodecanoic acid, cobalt salt (1:?)
- RCo-D 20
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KDMCQAXHWIEEDE-UHFFFAOYSA-L, ODJCDUPUPDEPBK-UHFFFAOYSA-N, OPAGOSHJYNFXGD-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C10H20O2.Co/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2 |
| IUPAC name chemrof:IUPAC_name | Cobalt neodecanoate |
| Molecular formula chemrof:molecular_formula | C20H38CoO4, C20H40CoO4 |
| SMILES string chemrof:smiles_string | CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Co+2] |
Known URLs
11Where 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=27253-31-2 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=52270-44-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=90342-30-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.961 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.082.848 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00920451 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GX2448V06W | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/102601794 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/21972107 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/24899422 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82893165 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ef9f9189-68de-4fba-bacc-00ee360f494d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 024c7156-fa57-4cc1-b793-190e7d159948 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b501d0de-f187-45ff-af0f-6a540ef7c8c4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8f30a95f-cc08-4c20-af81-2a1cb505bf59 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3fec9a56-46f1-46bb-828d-52191635529a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 040efebd-008f-41b2-9f4b-40b307c0c0d5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1eb7f0eb-9600-4951-9e1d-a36c52f6e40e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| ff865425-734d-4c72-bfb7-b275185ccaed | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 94889724-3cd0-4273-b73c-8f20e7d1c906 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ca0a36dc-9ac2-4afa-9737-cb21f683772b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| facb6851-a6f9-478b-b204-41f1aded5258 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 64b07afd-75c1-45bf-a885-2d7f0e8ed63d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 25b6b293-d0fd-4173-ab93-ad787b1dd923 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-f4148bad3256b3e9",
"prefLabel": [
{
"@value": "Neodecanoic Acid, Cobalt Salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "740C",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:27253-31-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=27253-31-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "CN 20.5",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:27253-31-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=27253-31-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobalt neodecanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:27253-31-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=27253-31-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Neodecanoic acid, cobalt salt (1:?)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:27253-31-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=27253-31-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "RCo-D 20",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:27253-31-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=27253-31-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C20H38CoO4",
"C20H40CoO4"
],
"attested_by": {
"C20H38CoO4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"C20H40CoO4": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:21972107",
"CID:24899422",
"CID:102601794"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Co+2]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KDMCQAXHWIEEDE-UHFFFAOYSA-L",
"ODJCDUPUPDEPBK-UHFFFAOYSA-N",
"OPAGOSHJYNFXGD-UHFFFAOYSA-L"
],
"attested_by": {
"KDMCQAXHWIEEDE-UHFFFAOYSA-L": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
],
"ODJCDUPUPDEPBK-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"OPAGOSHJYNFXGD-UHFFFAOYSA-L": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:21972107",
"CID:24899422",
"CID:102601794"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Co+2]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Co+2]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Cobalt neodecanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Co+2]"
]
}
],
"attested_by": {
"CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Co+2]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/2C10H20O2.Co/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Cobalt neodecanoate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Co+2]"
]
}
],
"attested_by": {
"InChI=1S/2C10H20O2.Co/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Cobalt neodecanoate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"Cobalt neodecanoate"
]
},
"attested_by": {
"Cobalt neodecanoate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.043.961",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24899422;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27253-31-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.082.848",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:21972107;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27253-31-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=27253-31-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"27253-31-2"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=52270-44-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24899422;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27253-31-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=90342-30-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:21972107;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27253-31-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID00920451",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:21972107;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27253-31-2]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GX2448V06W",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24899422;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27253-31-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/102601794",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:102601794;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[27253-31-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21972107",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:21972107;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[27253-31-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24899422",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24899422;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[27253-31-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82893165",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:21972107;CAS:27253-31-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[27253-31-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "024c7156-fa57-4cc1-b793-190e7d159948",
"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": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"27253-31-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=27253-31-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=27253-31-2"
}
],
"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": [
"248-373-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=248-373-0"
],
"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/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