Consensus flow list

Acetochlor

fo-8995f0fddd27135a

Identity

Type
NeutralMolecule
CAS
34256-82-1
EC
251-899-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Acetochlor

What it is used for

3

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant pests. 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

27

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VTNQPKFIQCLBDU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
Molecular formula chemrof:molecular_formula C14H20ClNO2
Molecular mass chemrof:molecular_mass 269.772
Monoisotopic mass chemrof:monoisotopic_mass 269.118257, 269.11826
SMILES string chemrof:smiles_string CCOCN(C(=O)CCl)c1c(C)cccc1CC

Known URLs

19

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=34256-82-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2394 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.047.166 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8023848 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1517425 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8L08WMO94K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247910 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J19.716E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10925 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10925 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52906 enrich_references.pubchem_identifier_url
pesticides pesticides:acetochlor enrich_references.chebi_xrefs
ppdb ppdb:12 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1988 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16646021 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17534384 enrich_references.chebi_xrefs
reaxys reaxys:2859702 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q419732 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Acetochlor enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
3e4d296e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-924a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
118b89d8-34b8-429e-bcb4-9d7c08a66c9f Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9249-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-924b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9248-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9246-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9929-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
864c7a37c7adb0256290475e76c28fa0e03de993 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9247-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-924d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-992a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
87430a25006ba6e80b691580b152515b6f604873 Environmental → Water → River bafu algorithm addition kg 0
4d9a8790-3ddd-11dd-924c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9928-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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    },
    {
      "@value": "Acetochlore",
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    },
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      "@value": "Acetor 50 EC",
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    },
    {
      "@value": "Azetochlor",
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      "@value": "Harness",
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    },
    {
      "@value": "Henaisi",
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    },
    {
      "@value": "Nevirex",
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    {
      "@value": "o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6′-ethyl-",
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    },
    {
      "@value": "Relay",
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      "@value": "Relay (herbicide)",
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      "@value": "Riley",
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      "@value": "Surpass",
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    {
      "@value": "Trophee",
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    },
    {
      "@value": "Trophy",
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    },
    {
      "@value": "Warrant",
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  "properties": {
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