Reaction Mass Of (5z)-6,10-dimethylundeca-5,9-dien-2-one And (5e)-6,10-dimethylundeca-5,9-dien-2-one
fo-36643d013c5be50e
Identity
- Type
- Neutral molecule
- CAS
- 689-67-8
- EC
- 211-711-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- 2,6-Dimethylundeca-2,6-dien-10-one
- 5,9-Hendecadien-2-one, 6,10-dimethyl-
- 5,9-Undecadien-2-one, 6,10-dimethyl-
- 6,10-Dimethyl-5,9-undec-2-one
- 6,10-Dimethyl-5,9-undecadien-2-one
- 6,10-Dimethyl-5,9-undecadiene-2-one
- Dihydropseudoionone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HNZUNIKWNYHEJJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 2,6-Dimethylundeca-2,6-dien-10-one |
| Molecular formula chemrof:molecular_formula | C13H22O |
| Molecular mass chemrof:molecular_mass | 194.318 |
| Monoisotopic mass chemrof:monoisotopic_mass | 194.167065 |
| SMILES string chemrof:smiles_string | CC(=O)CCC=C(C)CCC=C(C)C |
Known URLs
9Where 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=689-67-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.010.648 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.063.072 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1021586 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184326 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/610-dimethyl-59-undecadien-2-one | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130627 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19633 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72480171 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 057a8c76-5c93-4fd4-bba9-667215a956de | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f3fb1921-12a5-404c-b10a-bdd5c9967c77 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 2a08d918-0615-4c8b-8253-691354a88f48 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4ca5e4f9-b78f-4c20-be8c-71f171682b42 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6b282a45-1797-46ed-876d-de7c871820af | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 3f4d6fb4-1d39-48a4-b3c5-4a99265b0d66 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| db2d9f17-6dcb-4d97-b85f-cb333a4680b0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fd51bacc-0094-4477-91dd-00a0559d3a99 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 78e5f827-64f2-4920-ab20-4a55e62afc3a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 753baea7-fa21-4eb4-917b-6646c6702c3f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 136d8ae0-5019-4228-8f7d-bb1bd08691b3 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 7e77e3be-2efc-49c6-b497-7208be20498b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 1fc812cf-4aca-4be0-8027-561eed733365 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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