Consensus flow list

Identity

Type
NeutralMolecule
CAS
95-63-6
EC
202-436-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,2,4-trimethylbenzene

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GWHJZXXIDMPWGX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
IUPAC name chemrof:IUPAC_name 1,2,4-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 Cc1ccc(C)c(C)c1

Known URLs

25

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=95-63-6 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/DC32BC48.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34039 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.216 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1433 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021402 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65600 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1797280 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/34X0W8052F enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0013733 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2902.90.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.567J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14533 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14533 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42488 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=PSEUDOCUMENE enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7247 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12038862 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12705719 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9091763 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9117193 enrich_references.chebi_xrefs
reaxys reaxys:1903005 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q376994 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2,4-Trimethylbenzene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fb52fc-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
4d9a8790-3ddd-11dd-9cdd-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
b8b80380-cc33-48d0-b765-8d494fe192ee Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-9cdc-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 1
4d9a8790-3ddd-11dd-9cde-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
4d9a8790-3ddd-11dd-9cdb-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 7
fe0acd60-3ddc-11dd-b02e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-b033-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-b02f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-b031-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a6ac-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-b030-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-b032-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-514df3aded9b9ad3",
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  "altLabel": [
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