Trimethoxy(phenyl)silane
fo-7a5fb985b0803f2c
Identity
- Type
- Neutral molecule
- CAS
- 2996-92-1
- EC
- 221-066-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
17- (Trimethoxysilyl)benzene
- AY 43-040
- Benzene, (trimethoxysilyl)-
- CG-P 13
- Geniosil PTM
- Geniosil XL 70
- Huls/ Petrarch 04330
- Phenyltrimethoxysilane
- PhTMO
- PhTMS
- SCA-P 61M
- SICO-P 13
- Silane, trimethoxyphenyl-
- SiSiB PC 8131
- Trimethoxyphenylsilane
- X 40-175
- Xiameter OFS 6124
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZNOCGWVLWPVKAO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Trimethoxy(phenyl)silane |
| Molecular formula chemrof:molecular_formula | C9H14O3Si |
| Molecular mass chemrof:molecular_mass | 198.294 |
| Monoisotopic mass chemrof:monoisotopic_mass | 198.071221 |
| SMILES string chemrof:smiles_string | CO[Si](OC)(OC)c1ccccc1 |
Known URLs
10Where 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=2996-92-1 | enrich_references.consensus_cas_link |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=89885-26-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.152 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5040700 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=93925 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1903982 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/21TQE746S9 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.157B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/18137 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27253579 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5c218f1a-6148-45a4-8575-fec08b6f68a1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| ec6ebc27-7760-4589-886a-f2fa6a3a5614 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e3befa64-a569-4a0c-a767-373ed78e19e9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d64926c4-76c1-485f-b97c-024c5f843683 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cc54515c-8999-4a3c-9974-daff3b94b99c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| bb81a834-0e34-4711-8fa9-7755c41e67a4 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 0f8535c4-09ca-427f-80d7-b727748d36c9 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fd727107-67f2-4bf1-a0f6-8457e770cbcb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| dbdf0d90-918d-4766-81ed-309b6c6a80fb | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f2fb376f-5bdf-4d35-bfea-e267110720da | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d4cd3477-4e70-47f2-adc1-412f5140968e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4307c53e-77e8-4364-8057-998252fffa22 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3e0929fa-f4f2-4b28-8da6-113f00ba52c7 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"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": [
"2996-92-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2996-92-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2996-92-1"
}
],
"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": [
"221-066-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=221-066-9"
],
"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