Triethoxyisobutylsilane
fo-382cc11011f9a1fc
Identity
- Type
- Neutral molecule
- CAS
- 17980-47-1
- EC
- 402-810-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- DB-H 358
- Dynasylan BSM 100N
- Dynasylan IBTEO
- Isobutyltriethoxysilane
- Sicong SP 205
- Silane, triethoxy(2-methylpropyl)-
- Silane, triethoxyisobutyl-
- Triethoxy(2-methylpropyl)silane
- Xiameter OFS 6403
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ALVYUZIFSCKIFP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | Triethoxyisobutylsilane |
| Molecular formula chemrof:molecular_formula | C10H24O3Si |
| Molecular mass chemrof:molecular_mass | 220.385 |
| Monoisotopic mass chemrof:monoisotopic_mass | 220.149471 |
| SMILES string chemrof:smiles_string | CCO[Si](CC(C)C)(OCC)OCC |
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=17980-47-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.460 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.123.579 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1044857 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186627 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0YZ0G6Z2XH | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J422.005F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/87391 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27237362 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1fce2661-667f-42be-9210-dfdd1cd0af6b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a4a80118-db2a-470e-a43a-3a8478ca1801 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 659fb398-0af8-4280-872a-7b27f15ff0c2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4eccf1cf-bdba-4cc6-ac41-396b0eaf53b1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f85986f8-1172-4dc2-a438-97aad7cecd7e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 7817ec87-7854-4fa1-a3b6-879bb0b52689 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e26158d8-4b65-4ff4-978a-36d10673c389 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| bf510e63-e703-487f-b825-d7f3c90ca397 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| cc4a9033-1934-46a2-a5ec-75ab52cc48ad | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 9e6581aa-3b3a-4424-8820-3f1e8acbbff0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6a77295c-cde4-4f77-8b36-fddf9612983b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 081f9466-dd53-4f05-812d-980e88b3959c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a8f63c18-dc35-46e7-b49d-b33f694aed3c | 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-382cc11011f9a1fc",
"prefLabel": [
{
"@value": "Triethoxyisobutylsilane",
"@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": "DB-H 358",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dynasylan BSM 100N",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dynasylan IBTEO",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isobutyltriethoxysilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sicong SP 205",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Silane, triethoxy(2-methylpropyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Silane, triethoxyisobutyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triethoxy(2-methylpropyl)silane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Xiameter OFS 6403",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:17980-47-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H24O3Si"
],
"attested_by": {
"C10H24O3Si": [
"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:87391"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ALVYUZIFSCKIFP-UHFFFAOYSA-N"
],
"attested_by": {
"ALVYUZIFSCKIFP-UHFFFAOYSA-N": [
"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:87391"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCO[Si](CC(C)C)(OCC)OCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Triethoxyisobutylsilane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
}
],
"attested_by": {
"CCO[Si](CC(C)C)(OCC)OCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Triethoxyisobutylsilane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
}
],
"attested_by": {
"InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Triethoxyisobutylsilane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Triethoxyisobutylsilane"
]
},
"attested_by": {
"Triethoxyisobutylsilane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
220.385
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
}
],
"attested_by": {
"220.385": [
"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": [
220.149471
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CC(C)C)(OCC)OCC"
]
}
],
"attested_by": {
"220.149471": [
"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=J422.005F",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17980-47-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.100.460",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17980-47-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.123.579",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17980-47-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=17980-47-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"17980-47-1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1044857",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17980-47-1]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0YZ0G6Z2XH",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17980-47-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87391",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[17980-47-1]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186627",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17980-47-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27237362",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87391;CAS:17980-47-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17980-47-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "081f9466-dd53-4f05-812d-980e88b3959c",
"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": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"17980-47-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=17980-47-1"
}
],
"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": [
"402-810-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=402-810-3"
],
"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/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