7-methyl-3-methyleneocta-1,6-diene
fo-86263782143eb5d4
Identity
- Type
- Neutral molecule
- CAS
- 123-35-3
- EC
- 204-622-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- 1,6-Octadiene, 7-methyl-3-methylene-
- 2-Methyl-6-methylene-2,7-octadiene
- 3-Methylene-7-methyl-1,6-octadiene
- 7-methyl-3-methylene-1,6-octadiene
- 7-methyl-3-methylideneocta-1,6-diene
- Beta-myrcene
- Myrcene
- β-Geraniolene
- β-Myrcene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UAHWPYUMFXYFJY-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3 |
| IUPAC name chemrof:IUPAC_name | 7-methyl-3-methyleneocta-1,6-diene |
| Molecular formula chemrof:molecular_formula | C10H16 |
| Molecular mass chemrof:molecular_mass | 136.238 |
| Monoisotopic mass chemrof:monoisotopic_mass | 136.1252, 136.125201 |
| SMILES string chemrof:smiles_string | C=CC(=C)CCC=C(C)C |
Known URLs
34Where 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=123-35-3 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=29463-45-4 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17221 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.203 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6025692 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=406264 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL455491 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/myrcene | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:279258 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3M39CZS25B | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0038169 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.010I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06074 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06074 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00000853 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPR0102010005 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMPR0102010005 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=28004 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=5204 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-4888 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/31253 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2319 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=507000 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15299125 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25280163 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25503374 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25622554 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25909988 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27439360 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9268308 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1719990 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/2166047 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q424577 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Myrcene | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0873a1e3-51ff-4b01-8d4e-f4dfff9d791e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| eddf2367-a1cf-4ba8-95df-1e12106db2cb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| daf726df-f11b-40aa-b1df-37b03fa1ae4c | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 205d0ece-a976-4a78-96d4-71bb2cdc55f6 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 2ca1eca9-dd59-424b-9b3c-62b76447bb07 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 0015b924-ee85-4cf6-a5cc-3786c510fbbd | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 0051dcd6-1e5e-45eb-bd4e-6f8afc1d0086 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c5e26736-9ac2-4963-bfde-b15c53798fb5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| d4f4d264-0cb2-4480-bf72-150a562705cd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| df99ebc6-0c00-4f33-8733-c2cfad717abb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 345665b7-cb52-477f-88be-14076b8cfb0e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| aa793f5a-e751-444b-b372-b02c194c411b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c6e2f2d0-1ef4-4578-b7af-04c02f6ad22f | 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