4-methylveratrole
fo-7bbe7357f61d2da2
Identity
- Type
- Neutral molecule
- CAS
- 494-99-5
- EC
- 207-796-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
10- 1,2-Dimethoxy-4-methylbenzene
- 2-Methoxy-5-methylanisole
- 3,4-Dimethoxytoluene
- 4-Methyl-1,2-dimethoxybenzene
- 4-Methylcatechol dimethyl ether
- 4-Methylveratrol
- Benzene, 1,2-dimethoxy-4-methyl-
- Homoveratrole
- Toluene, 3,4-dimethoxy-
- Veratrole, 4-methyl-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GYPMBQZAVBFUIZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-methylveratrole |
| Molecular formula chemrof:molecular_formula | C9H12O2 |
| Molecular mass chemrof:molecular_mass | 152.193 |
| Monoisotopic mass chemrof:monoisotopic_mass | 152.08373 |
| SMILES string chemrof:smiles_string | COc1ccc(C)cc1OC |
Known URLs
11Where 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=494-99-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.088 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8060088 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7378 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL273904 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/349X0G2SSF | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0303183 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.504B | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=129979 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/68126 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27256350 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3a46cd50-c53d-4577-859e-6e1397647510 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 104bf10c-0be3-4d3b-b92c-4b51a497e2b8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9814f8f0-42c2-44cd-b775-c273820be4cc | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 19ab3f7e-9db6-4026-b174-c2e0f3d79d24 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| dfe53a72-b67a-4d72-9112-1535ac799103 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 436140d3-0b2f-4b66-bb47-4d49087a6789 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d0f9a8ab-9690-4332-ab09-80100a7af425 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 11085047-44c4-4acb-a9bc-fa2e68d2b5ec | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 342beb36-385f-4601-95df-235724524ef0 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1f4e0a72-6beb-438e-929d-7d0a694c8da8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ebf1d8d9-ad71-425f-81ed-d6aeda139458 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 32e11fe7-b5cc-4a36-9f4b-5d4dc25ca6b2 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6f0aee23-ac35-4a78-95f9-72e01a28a2f5 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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