2,6-dimethyloct-7-en-2-ol
fo-907fecf94e786af8
Identity
- Type
- Neutral molecule
- CAS
- 18479-58-8
- EC
- 242-362-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
5- 1,1,5-Trimethyl-6-heptenol
- 2,6-Dimethyl-7-octen-2-ol
- 3,7-Dimethyl-1-octen-7-ol
- 7-Octen-2-ol, 2,6-dimethyl-
- Dihydromyrcenol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XSNQECSCDATQEL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3 |
| IUPAC name chemrof:IUPAC_name | 2,6-dimethyloct-7-en-2-ol |
| Molecular formula chemrof:molecular_formula | C10H20O |
| Molecular mass chemrof:molecular_mass | 156.269 |
| Monoisotopic mass chemrof:monoisotopic_mass | 156.151415, 156.15142 |
| SMILES string chemrof:smiles_string | C=CC(C)CCCC(C)(C)O |
Known URLs
17Where 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=18479-58-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87528 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.038.497 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.053.103 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8029317 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02273 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184487 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/46L1B02ND9 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.782F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130628 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=146868 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/29096 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22287404 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1840872 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1659907 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q4465009 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dihydromyrcenol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2df92f33-bf35-45bf-abcc-ee1c85d8f23d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 45c63ef0-ba03-48d0-8725-ef6aa05e390b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f6b73b5b-7c6f-4b60-a129-1dea2c4c4de5 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 479074f4-fdb0-41c1-8f46-6887468683f6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 81d0e888-9c0a-4278-9ae1-a5c5eb36f957 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| a9000e8d-4b4b-4fc2-bac9-30ccfc7b056e | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 41a92b9b-1969-42b5-ac40-9c035defb31e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 64cf2f0c-7e17-4eca-b25c-859e0d1c9790 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 6080f32d-a136-4fca-92e5-a2b93b84dfd5 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c28513f9-647c-4f05-ae45-d3b9294ac65c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| dd2f4ba1-f2f4-4b14-828b-dd3bb393bea9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 813f6de3-fb89-45a9-9f48-0e7d141fa4e0 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d471b292-0bfb-4e88-8905-5c3bc3ee6491 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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"seed_uuid": "2df92f33-bf35-45bf-abcc-ee1c85d8f23d",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"18479-58-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=18479-58-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=18479-58-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"242-362-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=242-362-4"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A monoterpenoid that is oct-7-en-2-ol substituted by methyl groups at positions 2 and 6 respectively.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_87528"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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