Consensus flow list

Identity

Type
Neutral molecule
CAS
3147-75-9
EC
221-573-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

23

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IYAZLDLPUNDVAG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3
IUPAC name chemrof:IUPAC_name 2-(2h-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
Molecular formula chemrof:molecular_formula C20H25N3O
Molecular mass chemrof:molecular_mass 323.44
Monoisotopic mass chemrof:monoisotopic_mass 323.199762
SMILES string chemrof:smiles_string CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1

Known URLs

11

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=3147-75-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.612 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027522 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB21133 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1886986 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R775Y233N3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.685F enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05232 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80799 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62485 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27287879 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5259f2d2-ef34-4b07-bbb1-0024a80ee5f8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cec495da-d23e-4f00-8fea-6e4530038a3b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
03bb6393-4f8c-43ba-9bc6-68065692ca15 Environmental → Air → Indoor EF 3.1 kg 4
18556450-9699-47ab-a061-73c57e6e7c9c Environmental → Air → Long-term EF 3.1 kg 0
dbc036f4-0efc-4d89-8baf-a857ecbf5579 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4248bc11-d7ec-4e8f-a90c-fbaffd03ab41 Environmental → Air → Unknown EF 3.1 kg 4
3c3f089d-2b2c-46b1-8e37-508825c72d90 Environmental → Ground → Agricultural EF 3.1 kg 4
485d51e3-8aba-4a4f-8f0d-2599ef588bc8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f6670b84-15d2-4073-825c-99219b5206f5 Environmental → Ground → Unknown EF 3.1 kg 4
5df9b015-7b14-497c-91e9-f00d7812f6df Environmental → Water → Long-term EF 3.1 kg 0
b10b63e4-9dda-4955-9e57-1f61aa665509 Environmental → Water → Ocean EF 3.1 kg 4
f67942d4-7139-4144-aaab-af297032c2bb Environmental → Water → Surface water EF 3.1 kg 4
d7d6d8f0-e750-4fa6-82df-b7cd80a33fb9 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-b51d07b39570e9db",
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    },
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      "@value": "2-(2H-Benzotriazole-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol",
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    },
    {
      "@value": "2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole",
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    },
    {
      "@value": "2-(5′-tert-Octyl-2′-hydroxyphenyl)benzotriazole",
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    },
    {
      "@value": "2-[2′-Hydroxy-5′-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole",
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    {
      "@value": "2-Benzotriazolyl-4-tert-octylphenol",
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    {
      "@value": "Adeka Stab LA 29",
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    },
    {
      "@value": "ADK Stab LA 29",
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    },
    {
      "@value": "Cyasorb UV 5411",
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    },
    {
      "@value": "Eversorb 72",
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    {
      "@value": "Kemisorb 79",
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      "@value": "Octrizole",
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    },
    {
      "@value": "Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-",
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    },
    {
      "@value": "Riasorb UV 329",
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    },
    {
      "@value": "Spectra-Sorb UV 5411",
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  ],
  "properties": {
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        "C20H25N3O"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "IUPAC name",
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    "https://w3id.org/chemrof/molecular_mass": {
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        },
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