Tributyltin Acetate
fo-2b238be271adf273
Identity
- Type
- Chemical salt
- CAS
- 56-36-0
- EC
- 200-269-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
8- Acetic acid, tributylstannyl ester
- Acetoxytributylstannane
- Acetoxytributyltin
- Stannane, (acetyloxy)tributyl-
- Stannane, acetoxytributyl-
- Tri-n-butyltin acetate
- Tributylacetoxystannane
- Tributylstannyl acetate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PWBHRVGYSMBMIO-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | Tributyltin Acetate |
| Molecular formula chemrof:molecular_formula | C14H30O2Sn |
| Molecular mass chemrof:molecular_mass | 349.103 |
| Monoisotopic mass chemrof:monoisotopic_mass | 350.126775 |
| SMILES string chemrof:smiles_string | CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC |
Known URLs
8Where 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=56-36-0 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.245 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7043954 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8989 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/093LD1397U | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16682741 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/46871717 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27236451 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e3d7e539-6fb7-456f-82c2-dec2631bcae0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4627cfd3-b192-4839-8d77-649f82e5d3f0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| b93a5b2b-da8b-42f5-b9b3-65faceea5d22 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 95b2a7b0-2c2a-4bac-b78b-c492183948fb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fabe5d2e-278a-400e-82a6-fba8864bf6f0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| cc6a9fc5-f980-4c8c-840b-909af63862e3 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 31249d12-164c-453c-9761-b4e26bc911e5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 2c96f7ff-2b7f-4429-a3c1-04389088febf | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 9a747e99-f551-4f71-be9f-fcc9e34fc218 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4f585580-f379-4a4c-bd28-9d691b412200 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 56fd0222-1a44-4255-a5aa-4c7efcc594e0 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 99987616-366f-4245-9793-a4f879a735d5 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| afbfa187-d85d-438f-99e5-c40eedc4f6bf | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-2b238be271adf273",
"prefLabel": [
{
"@value": "Tributyltin Acetate",
"@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": "Acetic acid, tributylstannyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetoxytributylstannane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetoxytributyltin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Stannane, (acetyloxy)tributyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Stannane, acetoxytributyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tri-n-butyltin acetate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tributylacetoxystannane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tributylstannyl acetate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:56-36-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H30O2Sn"
],
"attested_by": {
"C14H30O2Sn": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741",
"CID:46871717"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PWBHRVGYSMBMIO-UHFFFAOYSA-M"
],
"attested_by": {
"PWBHRVGYSMBMIO-UHFFFAOYSA-M": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741",
"CID:46871717"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Tributyltin Acetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC"
]
}
],
"attested_by": {
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Tributyltin Acetate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC"
]
}
],
"attested_by": {
"InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Tributyltin Acetate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Tributyltin Acetate"
]
},
"attested_by": {
"Tributyltin Acetate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
349.103
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC[Sn+](CCCC)CCCC.CC(=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC"
]
}
],
"attested_by": {
"349.103": [
"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": [
350.126775
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC[Sn+](CCCC)CCCC.CC(=O)[O-]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC"
]
}
],
"attested_by": {
"350.126775": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.000.245",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56-36-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=56-36-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:46871717;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56-36-0]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7043954",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56-36-0]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8989",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56-36-0]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/093LD1397U",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56-36-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16682741",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[56-36-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/46871717",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:46871717;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[56-36-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27236451",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16682741;CAS:56-36-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[56-36-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "2c96f7ff-2b7f-4429-a3c1-04389088febf",
"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": [
"56-36-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=56-36-0"
}
],
"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": [
"200-269-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=200-269-6"
],
"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