4-allylveratrole
fo-b7c1999070403d4f
Identity
- Type
- Neutral molecule
- CAS
- 93-15-2
- EC
- 202-223-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
26- 1,2-Dimethoxy-4-(2-propen-1-yl)benzene
- 1,2-Dimethoxy-4-(2-propenyl)benzene
- 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene
- 1,2-Dimethoxy-4-allylbenzene
- 1,3,4-Eugenol methyl ether
- 1-(3,4-Dimethoxyphenyl)-2-propene
- 1-Allyl-3,4-dimethoxybenzene
- 3,4-Dimethoxy-1-(2-propenyl)benzene
- 3,4-Dimethoxyallylbenzene
- 3-(3,4-Dimethoxyphenyl)-1-propene
- 3-(3,4-Dimethoxyphenyl)propene
- 4-Allyl-1,2-dimethoxybenzene
- Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
- Benzene, 1,2-dimethoxy-4-(2-propenyl)-
- Benzene, 4-allyl-1,2-dimethoxy-
- Chavibetol methyl ether
- Eugenol methyl ether
- Eugenyl methyl ether
- Methyl eugenol
- Methyl eugenol ether
- Methyl eugenyl ether
- Methylchavibetol
- Methyleugenol
- O-Methyleugenol
- Veratrole methyl ether
- Veratrole, 4-allyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| IUPAC name chemrof:IUPAC_name | 4-allylveratrole |
| Molecular formula chemrof:molecular_formula | C11H14O2 |
| Molecular mass chemrof:molecular_mass | 178.231 |
| Monoisotopic mass chemrof:monoisotopic_mass | 178.09938 |
| SMILES string chemrof:smiles_string | C=CCc1ccc(OC)c(OC)c1 |
Known URLs
21Where 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 |
|---|---|---|
| bpdb | bpdb:2504 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=93-15-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4918 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.022 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5025607 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=209528 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8900 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108861 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/29T9VA6R7M | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031864 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.669H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C10454 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C10454 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002741 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45164 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44401 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7127 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2810 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=224738 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q419829 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Methyl_eugenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a2dfbbe0-9e92-47b2-99a6-046b25fd28ce | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 49283e7b-6fc2-41c5-8c88-5d9574d6eeac | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| bd27ff27-ad64-4467-bd0f-0ecc9a4fa96a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 13de0149-3342-4477-bc9d-82955ada791a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| dfe54162-0ada-46fc-84df-7141728886e7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 46b6412b-121b-493a-9a64-9487d7f78e71 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a631b5c7-7d81-48d6-aeb0-b6e96faed62d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 2b2d2ae3-161a-4f92-9091-998f6f2b7e01 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 682cf967-26f2-469d-868b-d9294dfbed7b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d276ae4c-b06f-43b8-97c2-fcf7bfc9ceb9 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 06e79c2f-8172-4fef-8369-7bd62925a070 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 8fa1def8-74df-4165-b3da-b92e136ad4fb | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 29669024-acd8-4144-a18f-a385fc519741 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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{
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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