Thymol
fo-eef47293fb03707d
Identity
- Type
- Molecular anion
- CAS
- 89-83-8
- EC
- 201-944-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
24- 1-hydroxy-5-methyl-2-isopropylbenzene
- 1-Methyl-3-hydroxy-4-isopropylbenzene
- 2-Hydroxy-1-isopropyl-4-methylbenzene
- 2-isopropyl-5-methylphenol
- 3-Hydroxy-p-cymene
- 3-Methyl-6-isopropylphenol
- 3-p-cymenol
- 5-METHYL-2-(1-METHYLETHYL)PHENOL
- 5-methyl-2-(propan-2-yl)phenol
- 5-methyl-2-(propan-2-yl)phenyl sulfate
- 5-Methyl-2-isopropyl-1-phenol
- 5-methyl-2-isopropylphenol
- 5-Methyl-2-propan-2-ylphenol
- 6-isopropyl-3-methylphenol
- 6-isopropyl-m-cresol
- Apiguard
- m-Thymol
- Marukarep RM
- MeSH ID: D013943
- p-Cymen-3-ol
- Phenol, 5-methyl-2-(1-methylethyl)-
- Thyme camphor
- Thymol Chrystals
- thymol sulfate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | -1, 0 |
| InChI2D key string chemrof:inchi2d_key_string | MGSRCZKZVOBKFT-UHFFFAOYSA-N, NODSEPOUFZPJEQ-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Thymol |
| Molecular formula chemrof:molecular_formula | C10H13O4S, C10H14O |
| SMILES string chemrof:smiles_string | Cc1ccc(C(C)C)c(O)c1 |
Known URLs
39Where 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:1889 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=89-83-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133663 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27607 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.768 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6034972 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB02513 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02513 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:4258 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/4258 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11215 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=47821 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49142 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL29411 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/thymol | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3J50XA376E | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001878 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2907.19.40.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.606B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C09908 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D01039 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C09908 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D01039 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00000155 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPR0102090029 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMPR0102090029 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28117 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77062 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:IPB | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/D4NAHHQY55AV | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/D4V1F6FXMJ2N | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL29411 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6989 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017743 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=503525 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/10553 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:1889 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q408883 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Thymol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 74e788e8-8ab5-4552-8768-b20edc11c92b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 2a13f38c-9505-4594-8b43-50ead41ebd29 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 04821049-a547-4ed9-93e1-ae09c0399f09 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| a53fab5d-cb61-4941-834a-97147c712352 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 72ec7d3f-0eac-4b33-a814-0602ea9ec25e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 7df1fb64-4e5c-4c6b-bc47-1e862938e13d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| bb2426fa-c405-4948-a0a5-07282931f6cc | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 72090bf8-0b83-4a24-b20c-f1218b78fd71 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 1b00c8a9-752a-4eb5-bef8-a7ebc3e2bdbe | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| e3e22a5b-d909-4e0b-b806-598db2ee347c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 445c531c-6199-46b3-a317-28e42209c047 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3e92c5cc-7b47-422c-8138-61a9b1d98ca7 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 660347d6-1632-43ee-bee2-83848e9ad1f9 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
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{
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{
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{
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{
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{
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{
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},
{
"@value": "6-isopropyl-3-methylphenol",
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},
{
"@value": "6-isopropyl-m-cresol",
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},
{
"@value": "m-Thymol",
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{
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},
{
"@value": "MeSH ID: D013943",
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}
},
{
"@value": "p-Cymen-3-ol",
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}
},
{
"@value": "Phenol, 5-methyl-2-(1-methylethyl)-",
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},
{
"@value": "Thyme camphor",
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},
{
"@value": "Thymol Chrystals",
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}
},
{
"@value": "thymol sulfate",
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],
"properties": {
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],
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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