Consensus flow list

Identity

Type
NeutralMolecule
CAS
55179-31-2
EC
259-513-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for Bitertanol

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal 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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VGPIBGGRCVEHQZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
IUPAC name chemrof:IUPAC_name 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Molecular formula chemrof:molecular_formula C20H23N3O2
Molecular mass chemrof:molecular_mass 337.416, 337.423
Monoisotopic mass chemrof:monoisotopic_mass 337.179027, 337.17903
SMILES string chemrof:smiles_string CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1

Known URLs

9

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=55179-31-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3130 enrich_references.chebi_id_link
pesticides pesticides:bitertanol enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11504204 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16971034 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8413077 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8540615 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9850587 enrich_references.chebi_xrefs
reaxys reaxys:620948 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
a32dbf22-31f6-49d1-946c-6a9531b7a0ee Environmental → Air → Aircraft cruise height EF 3.1 kg 4
41ebf866-f87e-4f80-92d3-a3c774b1defd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
760722cb-f7b1-4231-8932-29e601b5b517 Environmental → Air → Indoor EF 3.1 kg 4
261a7c70-d3c0-49b6-a844-d275296426a6 Environmental → Air → Long-term EF 3.1 kg 0
672479d9-3581-4b0c-bfcc-1e8a57754745 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
30a3d65c-5a0b-4c72-a467-1fafb7a9e5cf Environmental → Air → Unknown EF 3.1 kg 4
50284652-846d-4ddf-9548-9d992469a13e Environmental → Ground → Agricultural EF 3.1 kg 4
76cef64d-3acd-4fda-bfb7-8da5d38035f7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a20aadfbe4ffdbe9a71520da81baa7b2503bc545 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
44c2b516-1ed9-4a9f-afaf-ceaf498ad87d Environmental → Ground → Unknown EF 3.1 kg 4
d39c38e1-d68c-4db6-872a-67e9b3ea6ce0 Environmental → Water → Long-term EF 3.1 kg 0
df3e3e76-1a63-4c31-b2cd-4e862e947c95 Environmental → Water → Ocean EF 3.1 kg 4
f4599aa2-d80f-4624-8b02-681d65aa731e Environmental → Water → Surface water EF 3.1 kg 4
8f29851a-dc66-430d-8552-b948b5bd6828 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c29773e4cb4a5203",
  "prefLabel": [
    {
      "@value": "Bitertanol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(4-Phenylphenoxy)-1-(1,2,4-triazole-1)-3,3-dimethylbutan-2-ol",
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    },
    {
      "@value": "1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol",
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    },
    {
      "@value": "1H-1,2,4-Triazole-1-ethanol, β-([1,1′-biphenyl]-4-yloxy)-α-(1,1-dimethylethyl)-",
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      "@value": "Baycor 25WP",
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      "@value": "Baycor DC 300",
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      "@value": "beta-((1,1'-Biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol",
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    {
      "@value": "beta-([1,1'-biphenyl]-4-yloxy)-alpha-tert-butyl-1H-1,2,4-triazol-1-ethanol",
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    },
    {
      "@value": "Biloxazol",
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
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    {
      "@value": "A diastereoisomeric mixture composed of the enantiomeric pair (1R,2S)- and (1S,2R)-bitertanol in a 4:1 ratio with the enantiomeric pair (1R,2R)- and (1S,2S)-bitertanol. A fungicide used to control a range of diseases including scab, powder mildew, rusts and blackspot. It is moderately toxic to most animal and insect species but is non-toxic to honeybees.",
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        "prov:wasDerivedFrom": "chebi.definition"
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      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
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        ],
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
      "provenance": {
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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