Consensus flow list

Identity

Type
Neutral molecule
CAS
6197-30-4
EC
228-250-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Octocrylene

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FMJSMJQBSVNSBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-ethylhexyl 2-cyano-3,3-diphenylacrylate
Molecular formula chemrof:molecular_formula C24H27NO2
Molecular mass chemrof:molecular_mass 361.485
Monoisotopic mass chemrof:monoisotopic_mass 361.204179, 361.20418
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

Known URLs

18

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=6197-30-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135526 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.025.683 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9025299 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB09535 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3395 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3395 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1201147 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5A68WGF6WM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255910 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.358E enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05227 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71527 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84027 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1201147 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22571 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q424805 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Octocrylene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0e2bc71f-d632-407b-a2dd-16d361ff53a9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fbf3553f-89d1-4235-862f-6d4ba969a02b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d0dac4af-74e2-4255-ae9c-58aab765ee89 Environmental → Air → Indoor EF 3.1 kg 4
d2a569e0-2419-4d73-862e-cadc009deead Environmental → Air → Long-term EF 3.1 kg 0
83c565ab-e7a9-4a17-96cd-81a267fcb7bc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d17eaf98-37e4-4ea3-a228-6af80ba4b4bf Environmental → Air → Unknown EF 3.1 kg 4
824b9fce-dcde-481e-8972-58c1eff4a410 Environmental → Ground → Agricultural EF 3.1 kg 4
265e6a3d-67d4-4690-90f0-e373fd8dbcfc Environmental → Ground → Non-agricultural EF 3.1 kg 4
c1150612-3028-420f-bc20-65bdf42063b4 Environmental → Ground → Unknown EF 3.1 kg 4
ecae2f4a-c3a3-4064-b26b-041e2143b49f Environmental → Water → Long-term EF 3.1 kg 0
b4ce0252-791d-41b9-b833-6cc96fac6f85 Environmental → Water → Ocean EF 3.1 kg 4
1f77f0a0-0516-490d-9dc3-04d4d54bba8a Environmental → Water → Surface water EF 3.1 kg 4
79cc4f24-f18f-4399-b8d8-7cc379e80a2c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-75d97f7fac935391",
  "prefLabel": [
    {
      "@value": "Octocrylene",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "2-Cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate",
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      }
    },
    {
      "@value": "2-ethylhexyl 2-cyano-3,3-diphenylacrylate",
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      }
    },
    {
      "@value": "2-Ethylhexyl α-cyano-β,β′-diphenylacrylate",
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        ],
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      }
    },
    {
      "@value": "2-Ethylhexyl α-cyano-β-phenylcinnamate",
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    },
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      "@value": "2-Ethylhexyl-3,3-diphenylcyanoacrylate",
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    },
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      "@value": "2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester",
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    },
    {
      "@value": "2′-Ethylhexyl 2-cyano-3-phenylcinnamate",
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    },
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    },
    {
      "@value": "Eusolex OCR",
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    },
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  "properties": {
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      },
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  "references": [
    {
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