Consensus flow list

Xylylcarb

fo-994997b81a9a6f0c

Identity

Type
NeutralMolecule
CAS
2425-10-7
EC
219-364-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Xylylcarb

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

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WCJYTPVNMWIZCG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
IUPAC name chemrof:IUPAC_name 3,4-Dimethylphenol methylcarbamate
Molecular formula chemrof:molecular_formula C10H13NO2
Molecular mass chemrof:molecular_mass 179.219
Monoisotopic mass chemrof:monoisotopic_mass 179.094629, 179.09463
SMILES string chemrof:smiles_string CNC(=O)Oc1ccc(C)c(C)c1

Known URLs

14

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:2047375 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2425-10-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35048 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.605 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3058032 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2999840EDW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.027I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14579 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14579 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55069 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163715 enrich_references.pubchem_identifier_url
ppdb ppdb:2556 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17040 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2598558 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
b1758398-cca0-4d07-85ab-17188a2dddd7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
15420936-b8c2-4646-a4b1-f2babf249165 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
faae4712-d76a-4b8e-8d0a-87e63dba3a83 Environmental → Air → Indoor EF 3.1 kg 2
511ded9e-c686-4f8f-89fc-896cf4fd7c54 Environmental → Air → Long-term EF 3.1 kg 0
09b83dd6-a3af-4372-8f1f-2a6724f42c7d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f416bccb-7156-4b69-ab70-a76c77d2fcdf Environmental → Air → Unknown EF 3.1 kg 2
53e5348a-9ccb-4249-90ef-f656968a0a03 Environmental → Ground → Agricultural EF 3.1 kg 2
f1c2525e-7ce6-4597-9359-0c3f21c57755 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d0a6c65b640676d875e0cdd0cf29c6b3f1f250f9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
83114ab8-1bb8-40f9-bb08-ec89047d02de Environmental → Ground → Unknown EF 3.1 kg 2
4eebc295-4d53-4fb8-8ecb-d38c4e4df11b Environmental → Water → Long-term EF 3.1 kg 0
3dd66e2e-499a-42d7-b519-f6d9d617e782 Environmental → Water → Ocean EF 3.1 kg 2
27175d41-7438-45df-9216-67a761bd24b6 Environmental → Water → Surface water EF 3.1 kg 2
c3475cf5-2fcf-44d4-9be0-45126061ee3c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-994997b81a9a6f0c",
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