Ethylbenzene
fo-5d583f8eb6588456
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
Alternative labels
10- 1-Ethylbenzene
- Aethylbenzol
- alpha-methyltoluene
- Benzene, ethyl-
- EB
- Ethyl Benzene
- Ethylbenzol
- Ethylenzene
- PHENYLETHANE
- α-Methyltoluene
Properties
| Property | Value |
|---|---|
| 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
28Where 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 | 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)
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