Guaiacol
fo-928d5ebc548b4705
Identity
- Type
- Neutral molecule
- CAS
- 90-05-1
- EC
- 201-964-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
17- 1-Hydroxy-2-methoxybenzene
- 2-Hydroxyanisole
- 2-Methoxyl-4-vinylphenol
- 2-methoxyphenol
- Anastil
- Catechol monomethyl ether
- Guaiastil
- MeSH ID: D006139
- Methylcatechol
- o-Guaiacol
- o-Hydroxyanisole
- o-Methoxyphenol
- O-Methyl catechol
- Phenol, 2-methoxy-
- Phenol, o-methoxy-
- Pyrocatechol monomethyl ether
- Pyroguaiac acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LHGVFZTZFXWLCP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 |
| IUPAC name chemrof:IUPAC_name | Guaiacol |
| Molecular formula chemrof:molecular_formula | C7H8O2 |
| Molecular mass chemrof:molecular_mass | 124.139 |
| Monoisotopic mass chemrof:monoisotopic_mass | 124.052429, 124.05243 |
| SMILES string chemrof:smiles_string | COc1ccccc1O |
Known URLs
43Where 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=26247-00-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=26638-03-9 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=90-05-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28591 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.786 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.113.503 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0023113 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11359 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1334 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1334 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3815 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760376 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL13766 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/guaiacol | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6JKA7MAH9C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001398 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2909.50.20.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.217D | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01502 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/C15572 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00117 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01502 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C15572 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C23050 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00117 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002654 | enrich_references.chebi_xrefs |
| knapsack | knapsack:C00029459 | enrich_references.chebi_xrefs |
| lincs.smallmolecule | lincs.smallmolecule:LSM-6001 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37774 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-400 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76663 | enrich_references.pubchem_identifier_url |
| patent | patent:RU94026717 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:JZ3 | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL13766 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/460 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=107096 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22103597 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23587706 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24295708 | enrich_references.chebi_xrefs |
| reaxys | reaxys:508112 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/5031 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q412403 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Guaiacol | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 68d1618f-1603-44ae-b09e-60b4bbc5a3a4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 55d1cf07-71ee-4f59-8fd3-d9528ea5457e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 36e6b4f9-85f7-405b-a014-7b46d88955f7 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 24c27d91-1c69-4e0c-8d95-55b7b0c2ca57 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6efba440-4a72-48fc-986d-9ce5c3fab462 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 52ac9f11-d5a9-4705-8daa-93c57ffe8b7b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 1196df0b-20b6-471f-b3d4-a69070f50ca8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4a4b2d14-d3d1-4072-a88d-f4b6968aa906 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ca04d06d-38a3-4708-af43-5816cbddf223 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 73a8dbca-9968-4356-a1c7-cb4593c1ecfd | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08922f8f-8633-41d6-94c7-a8ed67333911 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 0995efcd-9114-44a0-bed9-ad3eb03ec832 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 80113b6c-24b1-4db2-9502-96bc3970c8ac | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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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