Consensus flow list

Etoxazole

fo-8fc99f6a18fd11dc

Identity

Type
NeutralMolecule
CAS
153233-91-1
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Etoxazole

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

2

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IXSZQYVWNJNRAL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
IUPAC name chemrof:IUPAC_name 2-(2,6-difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole
Molecular formula chemrof:molecular_formula C21H23F2NO2
Molecular mass chemrof:molecular_mass 359.416
Monoisotopic mass chemrof:monoisotopic_mass 359.169685, 359.16969
SMILES string chemrof:smiles_string CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1

Known URLs

5

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
beilstein beilstein:8930214 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=153233-91-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39329 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18495 enrich_references.chebi_xrefs
ppdb ppdb:284 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
dde23b149cecf18ab162c0912a9a7d2b076d5cd4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
bd129c72901ad4272a2465d0ba62c0199b72accd Environmental → Air → Unknown ecoinvent algorithm addition kg 0
2e160bc92afb29414aa34979b36273044936dc68 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
5b3edb64d88ab25108b554ab4f4b3fbbc55e9fa4 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
70976fa52ab7f16a060b05b52ecb6303db72ea8a Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
ae60b0c95a29a4a6328eace7381255889a1e3a2b Environmental → Water → Surface water ecoinvent algorithm addition kg 0
f6ce59539e812e2c584d8e83263a26a09c0c6d2e Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8fc99f6a18fd11dc",
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    {
      "@value": "Etoxazole",
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  "altLabel": [
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    },
    {
      "@value": "4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole",
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}

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