Linalool
fo-4bc91fdbb15f2eb9
Identity
- Type
- Neutral molecule
- CAS
- 78-70-6
- EC
- 201-134-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
19- (±)-Linalool
- 1,6-Octadien-3-ol, 3,7-dimethyl-
- 2,6-Dimethyl-2,7-octadien-6-ol
- 2,6-dimethylocta-2,7-dien-6-ol
- 2-Methyl-1-prenyl-3-buten-2-ol
- 3,7-Dimethyl-1,6-octadien-3-ol
- 3,7-Dimethyl-1,6-octadiene-3-ol
- 3,7-Dimethyl-3-hydroxy-1,6-octadiene
- 3,7-Dimethyl-3-ol-1,6-octadiene
- 3,7-Dimethylocta-1,6-dien-3-ol
- beta-linalool
- dl-Linalool
- L 260-2
- Linalol
- linalyl alcohol
- Linanool
- Lipofresh
- Phantol
- β-Linalool
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
| IUPAC name chemrof:IUPAC_name | Linalool |
| Molecular formula chemrof:molecular_formula | C10H18O |
| Molecular mass chemrof:molecular_mass | 154.253 |
| Monoisotopic mass chemrof:monoisotopic_mass | 154.135765, 154.13577 |
| SMILES string chemrof:smiles_string | C=CC(C)(O)CCC=C(C)C |
Known URLs
31Where 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:2150 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=78-70-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17580 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.032 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.969 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0912 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7025502 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3789 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL25306 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/linalool | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:406448 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D81QY6I88E | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0036100 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.830D | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J86.711J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C03985 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C03985 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00003047 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPR0102010004 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=129614 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/1NY1L4K66J13 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6549 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=032328 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18695915 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24570447 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24758511 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1362385 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1368896 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:2150 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q410932 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Linalool | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b7fab00a-2b49-499e-9443-a4e4bea26532 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| d772860f-5d22-4014-ad62-e0f9ead01196 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 385c0816-4efc-48a7-acfc-4396bbd4f0bd | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| ba0fba0f-2921-41cb-a133-980c519361b7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a9296844-0a13-49d2-91be-d8cb17c3a2b0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 70a54ce8-da09-465b-bc96-be2ce222c0cb | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 7c7d0c48-ad17-4b1c-8a83-f0085634e1cb | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 9c395d47-240b-4b38-9fdc-531bbe40795e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e94858ce-1409-43f1-af8b-88fbbca10c9b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 91b81f6f-28ed-4f3f-8b71-50289e2d0998 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4b112cc7-4fc1-40d4-b274-5fad7f871215 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ae649331-ac68-406a-8ca8-810b0a808a1d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 03094a2d-dbf5-46d5-a73a-f3cf05676465 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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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