Consensus flow list

Identity

Type
NeutralMolecule
CAS
22781-23-3
EC
245-216-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Bendiocarb

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
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

25

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XEGGRYVFLWGFHI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
IUPAC name chemrof:IUPAC_name 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate
Molecular formula chemrof:molecular_formula C11H13NO4
Molecular mass chemrof:molecular_mass 223.228
Monoisotopic mass chemrof:monoisotopic_mass 223.084458, 223.08446
SMILES string chemrof:smiles_string CNC(=O)Oc1cccc2c1OC(C)(C)O2

Known URLs

20

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:1315404 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=22781-23-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34556 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.091 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9032327 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL465018 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QFH0ZU0A5U enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248947 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2932.99.04.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.469J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14433 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14433 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54989 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163589 enrich_references.pubchem_identifier_url
ppdb ppdb:61 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2314 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2757 enrich_references.pubchem_identifier_url
vsdb vsdb:61 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q417017 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bendiocarb enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4cb45e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-b016-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f690017f-1d25-4fff-9a0b-1cfcf08c1bce Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-b015-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b017-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-b014-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9c84-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b01b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
52b34dc5cdda30ee77c234f3d38b1dc5eaa41ea9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-b013-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b019-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b01c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-b018-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-b01a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b71a9579a999b29c",
  "prefLabel": [
    {
      "@value": "Bendiocarb",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzodioxol-4-ol, 2,2-dimethyl-, 4-(N-methylcarbamate)",
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    },
    {
      "@value": "1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methylcarbamate",
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      }
    },
    {
      "@value": "2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate",
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      }
    },
    {
      "@value": "2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate",
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      "@lang": "en",
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      }
    },
    {
      "@value": "2,2-Dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate",
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        ],
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      }
    },
    {
      "@value": "2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3-Isopropylidenedioxyphenyl methylcarbamate",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bencarbate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Dycarb",
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      }
    },
    {
      "@value": "Ficam",
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    },
    {
      "@value": "Ficam 80W",
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      }
    },
    {
      "@value": "Ficam D",
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    },
    {
      "@value": "Ficam W",
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        ],
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      }
    },
    {
      "@value": "Fisons NC 6897",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Garvox",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Multamat",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Niomil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Seedox",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Seedox (insecticide)",
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      "provenance": {
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      }
    },
    {
      "@value": "Seedox 80W",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tatoo",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Tattoo",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Turcam",
      "@language": "en",
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    }
  ],
  "properties": {
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        "C11H13NO4"
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