Consensus flow list

Identity

Type
Neutral molecule
CAS
73936-91-1
EC
422-600-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(2h-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UZUNCLSDTUBVCN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3
IUPAC name chemrof:IUPAC_name 2-(2h-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
Molecular formula chemrof:molecular_formula C29H35N3O
Molecular mass chemrof:molecular_mass 441.619
Monoisotopic mass chemrof:monoisotopic_mass 441.278013
SMILES string chemrof:smiles_string CC(C)(C)CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1

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=73936-91-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.117 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.212.444 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4072780 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J819.381I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9803353 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72515945 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8eae167f-5cfc-4548-8e0a-a504ca0f5e2c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d30ec342-a01e-4bd6-b390-b4a610b28f4a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
202183f2-0896-4dcf-8629-a13fecb721a5 Environmental → Air → Indoor EF 3.1 kg 4
a395413c-fb45-4612-8bc7-1e3a9710c7c7 Environmental → Air → Long-term EF 3.1 kg 0
1608510d-a327-424b-b122-f90496c04840 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7ab6f5e3-e76d-4cc1-9897-8847679ed49a Environmental → Air → Unknown EF 3.1 kg 4
5db6ad97-cf1a-4fd9-a80b-343f4442a18a Environmental → Ground → Agricultural EF 3.1 kg 4
91d767d1-1a0c-4cc7-9f4c-b0abc06c1b2f Environmental → Ground → Non-agricultural EF 3.1 kg 4
2cb810c0-660f-42cf-b0f6-8f9e68068536 Environmental → Ground → Unknown EF 3.1 kg 4
a48454b1-3583-4865-8c79-f28d38b36592 Environmental → Water → Long-term EF 3.1 kg 0
8436557a-a7cd-421a-9804-9b73a0c47568 Environmental → Water → Ocean EF 3.1 kg 4
f444b1d3-7451-4b76-abcc-a1faca607238 Environmental → Water → Surface water EF 3.1 kg 4
f7742cfd-2c2b-42b7-af76-0bdfda912451 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0355203e29e66e49",
  "prefLabel": [
    {
      "@value": "2-(2h-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol",
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    }
  ],
  "altLabel": [
    {
      "@value": "2-(1-Methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-(benzotriazol-2-yl)phenol",
      "@language": "en",
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    },
    {
      "@value": "2-(2-Hydroxy-3-α-cumyl-5-tert-octylphenyl)-2H-benzotriazole",
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    },
    {
      "@value": "2-(Benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol",
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    {
      "@value": "2-[2-Hydroxy-3-(α,α-dimethylbenzyl)-5-tert-octylphenyl]-2H-benzotriazole",
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    },
    {
      "@value": "2-[2′-Hydroxy-3′-(α,α-dimethylbenzyl)-5′-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole",
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      "@value": "2-[3-(α,α-Dimethylbenzyl)-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]-2H-benzotriazole",
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    {
      "@value": "Eversorb 89/89FD",
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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": [
        "422-600-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=422-600-5"
      ],
      "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"
  ]
}

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