Consensus flow list

Identity

Type
Neutral molecule
CAS
96-37-7
EC
202-503-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Methylcyclopentane

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GDOPTJXRTPNYNR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name Methylcyclopentane
Molecular formula chemrof:molecular_formula C6H12
Molecular mass chemrof:molecular_mass 84.162
Monoisotopic mass chemrof:monoisotopic_mass 84.0939
SMILES string chemrof:smiles_string CC1CCCC1

Known URLs

37

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=96-37-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88429 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.277 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7024.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3025590 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=24836 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL30940 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB008152 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5G26CC1ASK enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031542 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.246G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44939 enrich_references.pubchem_identifier_url
patent patent:EP0072599 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7296 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2298 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/15081979 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15474966 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16045361 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17228898 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17898511 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17993253 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18105955 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18492346 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19334733 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19743389 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21329330 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21775152 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22542255 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22578783 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22829453 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24239891 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24773533 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7251182 enrich_references.chebi_xrefs
reaxys reaxys:1900214 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q412979 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Methylcyclopentane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fb79f8-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-afc1-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
61a7f55c-3eb7-496c-9999-c60f85b4b7db Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-afc0-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-afc2-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-afbf-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
e2fb79f6-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
e2fb79f9-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e2fb79fb-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
e2fb79fd-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
e2fb79fa-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
e2fb79f7-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
e2fb79fc-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
      "@value": "Methylcyclopentane",
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  "altLabel": [
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    },
    {
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    },
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