Consensus flow list

Identity

Type
NeutralMolecule
CAS
565-75-3
EC
209-292-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,3,4-trimethylpentane

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RLPGDEORIPLBNF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
IUPAC name chemrof:IUPAC_name 2,3,4-trimethylpentane
Molecular formula chemrof:molecular_formula C8H18
Molecular mass chemrof:molecular_mass 114.232
Monoisotopic mass chemrof:monoisotopic_mass 114.14085, 114.140851
SMILES string chemrof:smiles_string CC(C)C(C)C(C)C

Known URLs

29

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
agr agr:IND43681583 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=565-75-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:165735 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.448 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.10795.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6060343 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24846 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WOJ1QVR6OA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J44.097C enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA11000711 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA11000711 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5406 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11269 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10192893 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11194971 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15506196 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16526640 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22063283 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2260128 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2592297 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27333567 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28071058 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2962670 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3616574 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3617092 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3618463 enrich_references.chebi_xrefs
reaxys reaxys:1696869 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2813774 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,3,4-Trimethylpentane enrich_references.chebi_xrefs

Elementary flows

12
Flow Context Source Unit CFs
0d7a3b01-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-97ce-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-97cd-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-97cf-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-97cc-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
0d7a3aff-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
0d7a3b02-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
0d7a3b04-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
0d7a3b06-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
0d7a3b03-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
0d7a3b00-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
0d7a3b05-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
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