Zinc Bis[2-hydroxy-3,5-bis(1-phenylethyl)benzoate]
fo-a2db9da801ecf77e
Identity
- Type
- Chemical salt
- CAS
- 53770-52-8
- EC
- 258-753-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- (T-4)-Bis[2-(hydroxy-κO)-3,5-bis(1-phenylethyl)benzoato-κO]zinc
- 3,5-Bis(α-methylbenzyl)salicylic acid zinc salt
- Benzoic acid, 2-hydroxy-3,5-bis(1-phenylethyl)-, zinc complex
- Zinc 3,5-bis(1-phenylethyl)salicylate
- Zinc 3,5-bis(α-methylbenzyl)salicylate
- Zinc 3,5-di(α-dimethylbenzyl)salicylate
- Zinc 3,5-di(α-methylbenzyl)salicylate
- Zinc, bis[2-(hydroxy-κO)-3,5-bis(1-phenylethyl)benzoato-κO]-, (T-4)-
- Zinc, bis[2-hydroxy-3,5-bis(1-phenylethyl)benzoato-O1,O2]-, (T-4)-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XTUPUYCJWKHGSW-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C23H22O3.Zn/c2*1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18;/h2*3-16,24H,1-2H3,(H,25,26);/q;;+2/p-2 |
| IUPAC name chemrof:IUPAC_name | Zinc Bis[2-hydroxy-3,5-bis(1-phenylethyl)benzoate] |
| Molecular formula chemrof:molecular_formula | C46H42O6Zn |
| Molecular mass chemrof:molecular_mass | 756.226 |
| Monoisotopic mass chemrof:monoisotopic_mass | 754.227281 |
| SMILES string chemrof:smiles_string | CC(c1ccccc1)c1cc(C(=O)[O-])c(O)c(C(C)c2ccccc2)c1.CC(c1ccccc1)c1cc(C(=O)[O-])c(O)c(C(C)c2ccccc2)c1.[Zn+2] |
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=53770-52-8 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.053.394 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.062.174 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00892260 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.407C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/101981569 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/54682895 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81987617 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e056ad8e-43be-4dad-85fb-412476ab1eb9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 56fa3b95-64c7-4b82-b78f-4689563d278a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 4e10f040-6594-4e14-a6b6-fb7c6973a99a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d7e6ad12-6853-496f-a157-1ab0c4bc5ff2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2ecb58be-34b0-468c-a5f2-2253fddc7d6c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e17850ce-d4d6-42d1-89db-f4326703fa40 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e3dbaff0-80d7-45fd-af00-a88a5f8d7d8e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 15cca5f3-56ee-4474-9484-f029802b8013 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b80d137d-26d2-4ec2-9b0a-a5afa0928f4c | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d318cdce-6616-410b-aab9-ef42e35065d4 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d92a6502-a17c-4f67-933e-89b26ca46464 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 1053e489-c901-48a1-9d3a-ab20c4ebebe3 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 12775b32-b793-4e16-83c7-d64f6400c8d6 | 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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"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": [
"258-753-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=258-753-8"
],
"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