Consensus flow list

Identity

Type
Neutral molecule
CAS
100-41-4
EC
202-849-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Ethylbenzene

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YNQLUTRBYVCPMQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
IUPAC name chemrof:IUPAC_name Ethylbenzene
Molecular formula chemrof:molecular_formula C8H10
Molecular mass chemrof:molecular_mass 106.168
Monoisotopic mass chemrof:monoisotopic_mass 106.07825
SMILES string chemrof:smiles_string CCc1ccccc1

Known URLs

28

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=100-41-4 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27536-89-6 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/DAAAE60.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16101 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.591 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0268 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020596 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01722 enrich_references.chebi_xrefs
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406903 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL371561 enrich_references.pubchem_identifier_url
gmelin gmelin:2990 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L5I45M5G0O enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059905 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2902.60.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.272.471A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.192.069H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.589K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07111 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07111 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50380 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=ETHYLBENZENE enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C173418 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7500 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1175 enrich_references.pubchem_identifier_url
reaxys reaxys:1901871 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0116 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q409184 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethylbenzene enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
e2fba10d-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
fe0acd60-3ddc-11dd-a2ed-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
9094df4a-4120-4bed-b4fe-4a3e5c6e08ce Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2ec-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
fe0acd60-3ddc-11dd-a2ee-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
fe0acd60-3ddc-11dd-a2eb-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 7
fe0acd60-3ddc-11dd-a2e9-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
08a91e70-3ddc-11dd-a2f7-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2ea-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-a2f5-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a2f8-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
249daff3cb684b026e0b54badf182381b875d478 Environmental → Water → River bafu algorithm addition kg 0
fe0acd60-3ddc-11dd-a2ef-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
517243907480d1d52608aa12376b153d41186bb1 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-a2f6-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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