Anisole
fo-d7fdcf3e6c8f09fd
Identity
- Type
- Neutral molecule
- CAS
- 100-66-3
- EC
- 202-876-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- Anisol
- Benzene, methoxy-
- Hichemix MB
- Methoxybenzene
- Methyl phenyl ether
- Phenol methyl ether
- Phenoxymethane
- Phenyl methyl ether
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RDOXTESZEPMUJZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 |
| IUPAC name chemrof:IUPAC_name | Anisole |
| Molecular formula chemrof:molecular_formula | C7H8O |
| Molecular mass chemrof:molecular_mass | 108.14 |
| Monoisotopic mass chemrof:monoisotopic_mass | 108.05751, 108.057515 |
| SMILES string chemrof:smiles_string | COc1ccccc1 |
Known URLs
24Where 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=100-66-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16579 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.615 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1014 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4041608 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7920 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL278024 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/anisole | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:2964 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B3W693GAZH | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033895 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.012F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C01403 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C01403 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46264 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-395 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7519 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2222 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017804 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11944828 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24814399 | enrich_references.chebi_xrefs |
| reaxys | reaxys:506892 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q312244 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Anisole | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9890a942-f98d-4343-96fc-74169f10a7d9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0dcc6428-7b14-43f8-8240-528b46344fe2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 7460718c-5518-499d-8cec-e326c0fbd7d9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 7b743edf-557a-4adf-bbae-39bf7add36e6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f8b8fa0d-8dba-4951-89e3-5d356842fe71 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 925fa783-dd02-408f-a99e-6ad3bb3d9e72 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 7cd01b19-3b36-483f-9ea8-c28932987c9d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 974cef7e-73a2-4c7a-913e-84486a530fa6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| caba3947-f29e-412d-8489-0fb7989f23ae | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 859573bd-e4c1-480a-a3df-063acbaf3742 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ba5adfcb-6b30-41f0-b2e4-495f6ae6ad44 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 8a333873-0de4-4091-b66b-48a14346bc4c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4fb83eb3-0ff1-4259-9df2-3a3e9eb64e68 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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