D-menthol
fo-455a8fdfc97e5a76
Identity
- Type
- Neutral molecule
- CAS
- 15356-70-4
- EC
- 239-388-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | NOOLISFMXDJSKH-AEJSXWLSSA-N, TWDOPJXHIBEHIL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C10H20O/c2*1-7(2)9-5-4-8(3)6-10(9)11/h2*7-11H,4-6H2,1-3H3, InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3, InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C |
| IUPAC name chemrof:IUPAC_name | (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexanol, (1S,2R,5S)-5-methyl-2-propan-2-yl-1-cyclohexanol, (1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexan-1-ol, (1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol, 2-isopropyl-5-methyl-cyclohexanol, 5-methyl-2-propan-2-yl-1-cyclohexanol, 5-methyl-2-propan-2-yl-cyclohexan-1-ol, 5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Molecular formula chemrof:molecular_formula | C10H20O, C20H40O2 |
| SMILES string chemrof:smiles_string | CC1CCC(C(C)C)C(O)C1, CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)O)C(C)C |
Known URLs
38Where 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=15356-70-4 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:25187 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76306 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.763 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.022 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.014.614 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.035.791 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.035.792 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8029650 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8029733 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11344 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106989 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL256087 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/menthol-racemic | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C6B1OE8P3W | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0035765 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2906.11.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.129F | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.739.595A | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.252E | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D04849 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D04918 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=129775 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=133874 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80301 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/D4N6NA3R9J2J | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL2106989 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL256087 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/1254 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/165675 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/21696468 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1648123 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/6750 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q104625119 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q27084428 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q27109870 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q99693372 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Menthol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3df8da62-146b-4ae5-b474-e3a89202f45d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 8e99e956-1f6c-4230-b551-285f49ff335a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 992a28a4-a598-4ca5-8282-149cfd0273b8 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| d811c675-be7d-4874-a7f4-8a0edd133a1b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| bdd9585c-6880-4182-a9a4-702450aaeb35 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 74b28f12-8077-48b2-aac7-0540f998e440 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| cbbf5bc1-f8cc-4a25-b657-1881a8b6fff0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 68895be9-7079-4f32-833a-dbd84075356e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| a244f97c-98e5-40c1-aacc-6b1c7a2ed075 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| ce6e09a6-eba8-438d-8c3e-354e91886023 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 49a84eab-30a4-47fb-a369-a4ed38afa0f9 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 5cb1669b-36e6-4fe0-9dec-cdeba70c209a | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 1a241444-eb41-46b1-a76c-ac5816007a15 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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