Consensus flow list

Identity

Type
Neutral molecule
CAS
54406-48-3
EC
259-154-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Empenthrin

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YUGWDVYLFSETPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3
IUPAC name chemrof:IUPAC_name 1-ethynyl-2-methylpent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C18H26O2
Molecular mass chemrof:molecular_mass 274.404
Monoisotopic mass chemrof:monoisotopic_mass 274.19328
SMILES string chemrof:smiles_string C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC

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=54406-48-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.759 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60866422 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144207 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/41073 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126677998 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Empenthrin enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
63a52f46-0b89-4acf-aea3-cb553498a27b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f1aa14d0-cba3-48c8-8bb5-d1d00298ee44 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
17357325-0ae9-4a9e-a80b-c927a963c043 Environmental → Air → Indoor EF 3.1 kg 2
df5f1420-9680-45e5-981f-6dff7b303f20 Environmental → Air → Long-term EF 3.1 kg 0
3033dee4-f072-4b12-85a8-6b39ffe15b3e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c36c1dad-9251-45e2-9146-5062a666da2a Environmental → Air → Unknown EF 3.1 kg 2
4512164b-3e31-49ca-a092-de72b2813728 Environmental → Ground → Agricultural EF 3.1 kg 2
51b02418-8be7-483b-8b11-4a8420434445 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cc2ca88c9cc12eb15a724b73235a9eaee448d21f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
ac2e825d-5f14-4a07-8789-1770edd769ec Environmental → Ground → Unknown EF 3.1 kg 2
85b6e56e-30e3-41fc-a039-2ef2e35993b9 Environmental → Water → Long-term EF 3.1 kg 0
ced1f356-017f-41f3-a450-acb2d44c2c07 Environmental → Water → Ocean EF 3.1 kg 2
a2f3bffa-610d-4e5c-8d5e-74a2769e717f Environmental → Water → Surface water EF 3.1 kg 2
6dba9c5c-1801-4c59-8efd-a3078105fbac Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c8c4bff1f6452e04",
  "prefLabel": [
    {
      "@value": "Empenthrin",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-ethynyl-2-methylpent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate",
      "@language": "en",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Bunganon VA Plate",
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      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 1-ethynyl-2-methyl-2-penten-1-yl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 1-ethynyl-2-methyl-2-pentenyl ester",
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    },
    {
      "@value": "d-Empenthrin",
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}

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