Estragole
fo-fafcbb7685fa2340
Identity
- Type
- Neutral molecule
- CAS
- 140-67-0
- EC
- 205-427-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
40- 1-allyl-4-methoxybenzene
- 1-methoxy-4-(2-propen-1-yl)-benzene
- 1-methoxy-4-(2-propen-1-yl)benzene
- 1-methoxy-4-(2-propenyl)-benzene
- 1-methoxy-4-(2-propenyl)benzene
- 1-methoxy-4-(prop-2-en-1-yl)benzene
- 1-methoxy-4-prop-2-enylbenzene
- 3-(4-methoxyphenyl)-1-propene
- 3-(4-Methoxyphenyl)propene
- 3-(p-methoxyphenyl)-1-propene
- 3-(p-methoxyphenyl)propene
- 4-allyl-1-methoxybenzene
- 4-allylanisole
- 4-allylmethoxybenzene
- 4-methoxyallylbenzene
- Anisole, p-allyl-
- AUSTL 21320
- Benzene, 1-methoxy-4-(2-propen-1-yl)-
- Benzene, 1-methoxy-4-(2-propenyl)-
- chavicol methyl ether
- Chavicol, methyl-
- Chavicol, O-methyl-
- chavicyl methyl ether
- esdragol
- esdragole
- esdragon
- Esteragol
- Estragenole
- estragol
- Ether, p-allylphenyl methyl
- isoanethole
- methyl chavicol
- methylchavicol
- O-methyl-chavicol
- O-methylchavicol
- p-allyl-anisole
- p-allylanisole
- p-allylmethoxybenzene
- p-allylphenyl methyl ether
- p-methoxyallylbenzene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| IUPAC name chemrof:IUPAC_name | Estragole |
| Molecular formula chemrof:molecular_formula | C10H12O |
| Molecular mass chemrof:molecular_mass | 148.205 |
| Monoisotopic mass chemrof:monoisotopic_mass | 148.088815, 148.08882 |
| SMILES string chemrof:smiles_string | C=CCc1ccc(OC)cc1 |
Known URLs
52Where 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:1391 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=140-67-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4867 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.935 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020575 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404113 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL470671 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/estragole | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB012392 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9NIW07V3ET | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0034121 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.794K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C10452 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C10452 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002740 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46370 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-6484 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8815 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=507326 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10552889 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10995274 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11161012 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11884690 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12575134 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12617576 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15922374 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16826298 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18095647 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18266152 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18618386 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19167006 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19913108 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20552457 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21291237 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21469658 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21834250 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21922923 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21969960 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23010670 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23020916 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24421258 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32185416 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32750650 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32853702 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33681616 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33963471 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34015424 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/36627786 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/36797594 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1099454 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q419495 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Estragole | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 041fab2f-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b041-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| aaf00e03-0e56-4e9e-badf-69239137ce0d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b040-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-b042-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b03f-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9ccd-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b046-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9cce-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b044-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-b047-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-b043-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 1c211e8a949a6ffebc2b098f899000edbec37e67 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-b045-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-fafcbb7685fa2340",
"prefLabel": [
{
"@value": "Estragole",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1"
],
"prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
}
}
],
"altLabel": [
{
"@value": "1-allyl-4-methoxybenzene",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1-methoxy-4-(2-propen-1-yl)-benzene",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1-methoxy-4-(2-propen-1-yl)benzene",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1-methoxy-4-(2-propenyl)-benzene",
"@language": "en",
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"provenance": {
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],
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}
},
{
"@value": "1-methoxy-4-(2-propenyl)benzene",
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],
"prov:wasDerivedFrom": "original name retained as altLabel"
}
},
{
"@value": "1-methoxy-4-(prop-2-en-1-yl)benzene",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "1-methoxy-4-prop-2-enylbenzene",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "3-(4-methoxyphenyl)-1-propene",
"@language": "en",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "3-(4-Methoxyphenyl)propene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(p-methoxyphenyl)-1-propene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "3-(p-methoxyphenyl)propene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4-allyl-1-methoxybenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4-allylanisole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4-allylmethoxybenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4-methoxyallylbenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Anisole, p-allyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AUSTL 21320",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 1-methoxy-4-(2-propen-1-yl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 1-methoxy-4-(2-propenyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "chavicol methyl ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Chavicol, methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chavicol, O-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "chavicyl methyl ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "esdragol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "esdragole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "esdragon",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Esteragol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Estragenole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "estragol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_4867"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ether, p-allylphenyl methyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:140-67-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=140-67-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "isoanethole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "brightway-flows",
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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