(2-methoxyethyl)benzene
fo-f4d513368e821a36
Identity
- Type
- Neutral molecule
- CAS
- 3558-60-9
- EC
- 222-619-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
10- 1-Methoxy-2-phenylethane
- 2-Phenylethyl methyl ether
- Benzene, (2-methoxyethyl)-
- Ether, methyl phenethyl
- Kewda ether
- Methyl 2-phenethyl ether
- Methyl 2-phenylethyl ether
- Methyl phenethyl ether
- Pandanol
- β-Phenylethyl methyl ether
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | CQLYXIUHVFRXLT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| IUPAC name chemrof:IUPAC_name | (2-methoxyethyl)benzene |
| Molecular formula chemrof:molecular_formula | C9H12O |
| Molecular mass chemrof:molecular_mass | 136.194 |
| Monoisotopic mass chemrof:monoisotopic_mass | 136.088815 |
| SMILES string chemrof:smiles_string | COCCc1ccccc1 |
Known URLs
13Where 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=3558-60-9 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:196450 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.020.563 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1052032 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=81229 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4528537 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/methyl-phenethyl-ether | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/79089Z2R3S | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032621 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J75.050F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45660 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19089 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27266701 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 396d2f35-09eb-460d-a314-953774b4d061 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 36a5e1b4-697e-4a5d-afa6-a1fd4b66c1a5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| c7edb8a2-fc1c-4081-8b4a-b537e74aa074 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 409d9cba-4d80-4f99-a2a1-cd9b74ac5517 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4925f928-7395-4437-a53d-fe353d54ed1f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d4d6214b-9ea4-44c9-8415-78c44667d0b9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 9e196e25-7737-4f3a-bc3f-019bc71b6518 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4dc391ad-167d-4822-b8e4-83fa1fd5fdb5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4fd1194b-9586-49fb-89bb-83521915e0b8 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7e218a61-b247-441e-8bf2-835b1ef002e9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0cd293c0-9c72-4ed5-8f2a-0e152da58fd2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| ee010d63-3c81-4b01-a569-ff0668666229 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 39585987-c027-4539-b8d6-628cc7dbb882 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 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