Cobalt(2+) Bis(2-ethylhexanoate)
fo-dc274a823a20b2da
Identity
- Type
- Chemical salt
- CAS
- 136-52-7
- EC
- 205-250-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
36- 2-Ethylhexanoic acid cobalt(2+) salt
- 2-Ethylhexanoic acid cobalt(II) salt
- 8SEH-Co
- Accelerator G
- Accelerator NL 49PN
- Accelerator NL 51P
- Accelerator NL 53
- Akcobalt KXC 6
- AR-NL 49P
- Bis(2-ethylhexanoate)cobalt
- Cobalt 2-ethylhexanoate (1:2)
- Cobalt bis(2-ethylhexanoate)
- Cobalt Hex-Cem
- Cobalt octoate
- Cobalt(II) 2-ethylhexanoate
- Cobalt(II) octoate
- Cobaltous 2-ethylhexanoate
- Cobaltous octoate
- Commet
- Crystic Accelerator G
- Hexanoic acid, 2-ethyl-, cobalt(2+) salt
- Hexanoic acid, 2-ethyl-, cobalt(2+) salt (2:1)
- NA 980-2P
- Nuodex Co 10NEO
- NUSA Co
- Octlife Co 12
- Octlife Co 8
- Octope AE
- Pergaquick C 12X
- Pergaquick C 60X
- Pergaquick CP 12
- Unidry CO 12
- Valirex Co 10D60
- Valirex Co 12D60
- Valirex Co 6D60
- Versneller NL 49
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | QAEKNCDIHIGLFI-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2 |
| IUPAC name chemrof:IUPAC_name | Cobalt(2+) Bis(2-ethylhexanoate) |
| Molecular formula chemrof:molecular_formula | C16H30CoO4 |
| Molecular mass chemrof:molecular_mass | 203.147, 345.345 |
| Monoisotopic mass chemrof:monoisotopic_mass | 203.048225, 345.147604 |
| SMILES string chemrof:smiles_string | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2] |
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=13586-82-8 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=136-52-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.033.636 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID40929160 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/72248666 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82904001 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 278a4a4c-fffa-4f0f-b0e2-227b6317f5c9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b31b3434-b1d1-4380-8da2-39528f9fbaef | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 02f2a6c8-afe1-4a82-86ab-35f0700e3198 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 99904a15-31e3-4239-9458-d9b922c1d6c1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 42c71bf2-2c8a-4dea-9207-3b33d4d8862f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ec2bff77-a9d9-48a8-b630-2a710f727bd5 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 15bd2b18-c668-4c8a-9786-d62e4b6243c9 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 333f9869-d7f2-468d-9e5e-2f6b9b1d7319 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| dde89da5-156c-4f5a-acdb-4aaa87633b4b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f69a9aeb-1e28-43a7-9bb4-ca22ed675d92 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 12f01b78-65c9-4148-ac72-5c77bd8d6966 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a513e6d8-7789-45ce-bd94-882a3b80cb7c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 40e2b6eb-b30c-465b-a67b-0b1ada9595c1 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-dc274a823a20b2da",
"prefLabel": [
{
"@value": "Cobalt(2+) Bis(2-ethylhexanoate)",
"@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": "2-Ethylhexanoic acid cobalt(2+) salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Ethylhexanoic acid cobalt(II) salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "8SEH-Co",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Accelerator G",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Accelerator NL 49PN",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Accelerator NL 51P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Accelerator NL 53",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Akcobalt KXC 6",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AR-NL 49P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(2-ethylhexanoate)cobalt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobalt 2-ethylhexanoate (1:2)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobalt bis(2-ethylhexanoate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobalt Hex-Cem",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobalt octoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobalt(II) 2-ethylhexanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobalt(II) octoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobaltous 2-ethylhexanoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobaltous octoate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Commet",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Crystic Accelerator G",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexanoic acid, 2-ethyl-, cobalt(2+) salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexanoic acid, 2-ethyl-, cobalt(2+) salt (2:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NA 980-2P",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nuodex Co 10NEO",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NUSA Co",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octlife Co 12",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octlife Co 8",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octope AE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pergaquick C 12X",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pergaquick C 60X",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pergaquick CP 12",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Unidry CO 12",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Valirex Co 10D60",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Valirex Co 12D60",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Valirex Co 6D60",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Versneller NL 49",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:136-52-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H30CoO4"
],
"attested_by": {
"C16H30CoO4": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"QAEKNCDIHIGLFI-UHFFFAOYSA-L"
],
"attested_by": {
"QAEKNCDIHIGLFI-UHFFFAOYSA-L": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cobalt(2+) Bis(2-ethylhexanoate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]"
]
}
],
"attested_by": {
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=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/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cobalt(2+) Bis(2-ethylhexanoate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]"
]
}
],
"attested_by": {
"InChI=1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/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(2+) Bis(2-ethylhexanoate)"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cobalt(2+) Bis(2-ethylhexanoate)"
]
},
"attested_by": {
"Cobalt(2+) Bis(2-ethylhexanoate)": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
203.147,
345.345
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)O.[Co]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]"
]
}
],
"attested_by": {
"203.147": [
"rdkit_pre_consensus"
],
"345.345": [
"rdkit_post_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": [
203.048225,
345.147604
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)O.[Co]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]"
]
}
],
"attested_by": {
"203.048225": [
"rdkit_pre_consensus"
],
"345.147604": [
"rdkit_post_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.033.636",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666;CAS:136-52-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[136-52-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=13586-82-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666;CAS:136-52-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[136-52-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=136-52-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666;CAS:136-52-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[136-52-7]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID40929160",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666;CAS:136-52-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[136-52-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/72248666",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666;CAS:136-52-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[136-52-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82904001",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72248666;CAS:136-52-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[136-52-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "02f2a6c8-afe1-4a82-86ab-35f0700e3198",
"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": [
"136-52-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=136-52-7"
}
],
"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": [
"205-250-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=205-250-6"
],
"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