Dehydrolinalool
fo-da68068506d59dab
Identity
- Type
- Neutral molecule
- CAS
- 29171-20-8
- EC
- 249-482-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- 2,6-Dimethyl-2-octen-7-yn-6-ol
- 3,7-Dimethyl-3-hydroxy-6-octen-1-yne
- 3,7-Dimethyl-6-octen-1-yn-3-ol
- 3,7-dimethyloct-6-en-1-yn-3-ol
- 3-Hydroxy-3,7-dimethyl-oct-6-en-1-yne
- 6-Octen-1-yn-3-ol, 3,7-dimethyl-
- Dehydro-β-linalool
- Linalool, dehydro-
- β-Linalool, dehydro-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YWTIDNZYLFTNQQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3 |
| IUPAC name chemrof:IUPAC_name | 3,7-dimethyloct-6-en-1-yn-3-ol |
| Molecular formula chemrof:molecular_formula | C10H16O |
| Molecular mass chemrof:molecular_mass | 152.237 |
| Monoisotopic mass chemrof:monoisotopic_mass | 152.120115, 152.12012 |
| SMILES string chemrof:smiles_string | C#CC(C)(O)CCC=C(C)C |
Known URLs
11Where 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=29171-20-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:171913 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.969 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.56576.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6057588 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L06OT2435M | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032242 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J37.640J | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45358 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/62842 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27893849 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 036bd994-cad7-4891-9634-355f05fe655b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| be59382b-82a3-46e3-86ac-628cfe226d8c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8fa4be2b-e341-4d1d-8c80-251bddbb0e56 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 6bead4bf-da7c-45fe-9ee6-6e2119319637 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d8558a57-8068-45e4-be40-3c2b0c8dc4b5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 0a0ef0ea-3bcc-4fa1-8d04-c79fed52a2ad | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 7c5344ce-d7e4-41ac-b627-6c4d2022d49f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 12421807-dd35-43cf-b57d-f4db409f550a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2e49a44d-4c0e-4348-ab36-8e4d7b62cb41 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 48f59ebb-50a9-45ed-9de1-7f310a4eb18b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| aed42cb4-b6af-4d10-a11c-bff1564c0062 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2aa79ca4-b978-41e7-800f-92602a9eee99 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 9b053ee4-ff52-4c60-95b0-1331387b339f | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"249-482-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=249-482-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@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