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2-methylfuran

fo-7985bd8937a1c05f

Identity

Type
Neutral molecule
CAS
534-22-5
EC
208-594-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-methylfuran

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VQKFNUFAXTZWDK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 2-methylfuran
Molecular formula chemrof:molecular_formula C5H6O
Molecular mass chemrof:molecular_mass 82.102
Monoisotopic mass chemrof:monoisotopic_mass 82.04186, 82.041865
SMILES string chemrof:smiles_string Cc1ccco1

Known URLs

42

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:IND605263906 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25301-08-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27137-41-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=534-22-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88912 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.814 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.852 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.10340.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9025611 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3707 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5211 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1445555 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/2-methylfuran enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB012718 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/51O3BGW3F2 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0013749 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.337A enrich_references.pubchem_identifier_url
knapsack knapsack:C00048276 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42490 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10797 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2301 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19747702 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22284503 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23454028 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23694923 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27120138 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28165200 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29219310 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29451290 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30036056 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30620016 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31314520 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31332529 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31472386 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31875825 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31970347 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32660823 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33153167 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33319365 enrich_references.chebi_xrefs
reaxys reaxys:103733 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q209438 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Methylfuran enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4428f270-1c44-4bc5-aec3-d72a9d5bb450 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b1f53cb4-408f-4874-b310-cc4131d28794 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
75309f17-d5a8-48c2-88d5-12f45d900513 Environmental → Air → Indoor EF 3.1 kg 2
fa0bfa0c-32a7-47b9-8026-142c6e2fc54e Environmental → Air → Long-term EF 3.1 kg 0
bb79489e-d995-4e06-b52e-18e3607bb705 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
223debf1-6da3-4b14-94e8-3739ca2e792a Environmental → Air → Unknown EF 3.1 kg 2
29b46a4e-46e5-4e2d-b569-48d1cfab0559 Environmental → Ground → Agricultural EF 3.1 kg 2
45dfc4b9-68a2-465c-8a03-4127c7b4f0e9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cefcd01c-be6f-4357-ac47-a77a69dba0d3 Environmental → Ground → Unknown EF 3.1 kg 2
ab41a899-5dc7-4c2e-b33c-f4a588114d86 Environmental → Water → Long-term EF 3.1 kg 0
de1cb995-b81d-4822-a8dc-fe0e350f87ea Environmental → Water → Ocean EF 3.1 kg 2
d90a106f-6a30-4ab8-8ef2-332076b81988 Environmental → Water → Surface water EF 3.1 kg 2
cc7246b4-2649-430f-a54b-7290c20fb44a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7985bd8937a1c05f",
  "prefLabel": [
    {
      "@value": "2-methylfuran",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "2-methyl furan",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "2-methylfurane",
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      "@value": "2-MF",
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      }
    },
    {
      "@value": "5-methylfuran",
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      }
    },
    {
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    },
    {
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    {
      "@value": "silvan",
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    },
    {
      "@value": "α-Methylfuran",
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  "references": [
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