Bendiocarb
fo-b71a9579a999b29c
Identity
- Type
- Neutral molecule
- CAS
- 22781-23-3
- EC
- 245-216-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
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- 1,3-Benzodioxol-4-ol, 2,2-dimethyl-, 4-(N-methylcarbamate)
- 1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methylcarbamate
- 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate
- 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate
- 2,2-Dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate
- 2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole
- 2,3-Isopropylidenedioxyphenyl methylcarbamate
- Bencarbate
- Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester
- Dycarb
- Ficam
- Ficam 80W
- Ficam D
- Ficam W
- Fisons NC 6897
- Garvox
- Multamat
- Niomil
- Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate
- Seedox
- Seedox (insecticide)
- Seedox 80W
- Tatoo
- Tattoo
- Turcam
Properties
| Property | Value |
|---|---|
| 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
20Where 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 | 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
15| 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 |
| e69f6341ffc6fcf696c93c74f7bfe4e7b384e043 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-b01a-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works