Furfural
fo-9055655a4ea1af7b
Identity
- Type
- Neutral molecule
- CAS
- 98-01-1
- EC
- 202-627-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
26- 2-Formylfuran
- 2-Furaldehyde
- 2-Furanal
- 2-Furanaldehyde
- 2-Furancarbaldehyde
- 2-Furancarbonal
- 2-Furancarboxaldehyde
- 2-Furfural
- 2-Furfuraldehyde
- 2-Furyl-methanal
- 2-Furylaldehyde
- 2-Furylcarboxaldehyde
- Artificial ant oil
- Fural
- Furaldehyde
- furan-2-carbaldehyde
- Furan-2-carboxaldehyde
- Furancarbonal
- Furfuraldehyde
- Furfurals
- Furfurol
- Furfurole
- Furfurylaldehyde
- Furole
- Pyromucic aldehyde
- α-Furole
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| IUPAC name chemrof:IUPAC_name | Furfural |
| Molecular formula chemrof:molecular_formula | C5H4O2 |
| Molecular mass chemrof:molecular_mass | 96.085 |
| Monoisotopic mass chemrof:monoisotopic_mass | 96.021129, 96.02113 |
| SMILES string chemrof:smiles_string | O=Cc1ccco1 |
Known URLs
42Where 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=25067-38-3 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=98-01-1 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/LT6ACFC0.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34768 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.389 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0276 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1020647 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB16856 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8841 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL189362 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/furfural | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DJ1HGI319P | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032914 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2932.12.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.981K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14279 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14279 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00030331 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45777 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD0-2357 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:FU2 | enrich_references.chebi_xrefs |
| ppdb | ppdb:368 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7362 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1199 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=556525 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17439666 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21925629 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22081946 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22133603 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22213717 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22277539 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22315196 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22504824 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22512171 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22592554 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22639140 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22648683 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22703600 | enrich_references.chebi_xrefs |
| reaxys | reaxys:105755 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q412429 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Furfural | enrich_references.chebi_xrefs |
| ymdb | ymdb:YMDB01459 | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fb7a18-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9191-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| 2a7357c8-30ad-4b4a-9bbd-5ad4229c9a2a | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9190-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9192-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-918f-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-96fc-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9196-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| c43883a6d8d5c516c5da93d73b293d22c2ca116f | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-918e-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9194-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9197-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9193-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| ca388ebc3b2ecd825749d405d287560d50b69f2e | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9195-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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},
{
"@value": "Fural",
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},
{
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{
"@value": "Furfuraldehyde",
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},
{
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},
{
"@value": "Furfurol",
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},
{
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},
{
"@value": "Furfurylaldehyde",
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},
{
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},
{
"@value": "Pyromucic aldehyde",
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}
},
{
"@value": "α-Furole",
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],
"properties": {
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"attested_by": {
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},
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"rdfs:label": "InChI",
"@value": [
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works