Consensus flow list

Identity

Type
NeutralMolecule
CAS
108-67-8
EC
203-604-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,3,5-trimethylbenzene

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AUHZEENZYGFFBQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
IUPAC name chemrof:IUPAC_name 1,3,5-trimethylbenzene
Molecular formula chemrof:molecular_formula C9H12
Molecular mass chemrof:molecular_mass 120.195
Monoisotopic mass chemrof:monoisotopic_mass 120.0939
SMILES string chemrof:smiles_string Cc1cc(C)cc(C)c1

Known URLs

21

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=108-67-8 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/OX682428.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34833 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.278 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1155 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6026797 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9273 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797281 enrich_references.pubchem_identifier_url
gmelin gmelin:2956 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/887L18KQ6X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041924 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.424D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14508 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14508 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49631 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7947 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2325 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16549407 enrich_references.chebi_xrefs
reaxys reaxys:906806 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q425161 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mesitylene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f214ae23-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 5
fe0acd60-3ddc-11dd-a284-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 5
146c2211-7e82-499f-b06c-38075f65333e Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a283-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
fe0acd60-3ddc-11dd-a285-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 5
fe0acd60-3ddc-11dd-a282-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 5
f214ae21-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
f214ae24-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f214ae26-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
f214ae29-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
f214ae25-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
f214ae22-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
f214ae28-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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