Brightway Flows 1.0
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Bis[3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-o1,o2]zinc

fo-445dbee05d857ffe

Identity

Type
Chemical salt
CAS
42405-40-3
EC
403-360-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Bis[3,5-bis(1,1-dimethylethyl)-2-hydroxybenzoato-o1,o2]zinc

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HCOFMIWUFBMIPV-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C15H22O3.Zn/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Zinc 3,5-di(tert-butyl)salicylate
Molecular formula chemrof:molecular_formula C30H42O6Zn
Molecular mass chemrof:molecular_mass 564.05
Monoisotopic mass chemrof:monoisotopic_mass 562.227281
SMILES string chemrof:smiles_string CC(C)(C)c1cc(C(=O)[O-])c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)[O-])c(O)c(C(C)(C)C)c1.[Zn+2]

Known URLs

7

Where 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=42405-40-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.510 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.309 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30894010 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131879255 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54686148 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81982762 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0ca4fcf2-9906-4a59-b0a1-7ec0432ea564 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e5a2912d-250c-48bf-a7b0-99db9548d9eb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
820521ee-fe28-488b-8807-9fe131120518 Environmental → Air → Indoor EF 3.1 kg 4
49fadf97-04b8-44ef-8828-3fd071a796e6 Environmental → Air → Long-term EF 3.1 kg 0
94f6ddd3-f762-4c92-88be-20130e48997d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
72062b86-9a8a-4214-9bb6-16faea5bddfc Environmental → Air → Unknown EF 3.1 kg 4
667799e6-d526-4ea3-b0fc-7a8e760ba211 Environmental → Ground → Agricultural EF 3.1 kg 4
5d04bf98-7c53-435d-b755-c59898e9957b Environmental → Ground → Non-agricultural EF 3.1 kg 4
84686cf1-14c0-4b25-b31a-6012a9877e35 Environmental → Ground → Unknown EF 3.1 kg 4
17d5ec5d-d8ac-4133-bd63-d5b39c600c3a Environmental → Water → Long-term EF 3.1 kg 0
f85ded60-2f6c-4e10-8a02-fd4794389a22 Environmental → Water → Ocean EF 3.1 kg 4
ce310c8c-ecde-44bf-9331-8b3da1f9615f Environmental → Water → Surface water EF 3.1 kg 4
bc503b6b-7504-4496-9af1-ac314c225c4e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-445dbee05d857ffe",
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  ],
  "altLabel": [
    {
      "@value": "(T-4)-Bis[3,5-bis(1,1-dimethylethyl)-2-(hydroxy-κO)benzoato-κO]zinc",
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      }
    },
    {
      "@value": "Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-, zinc complex",
      "@language": "en",
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    {
      "@value": "Bontron E 84",
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    },
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}

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