Farnesane
fo-af5b4f252257588c
Identity
- Type
- Neutral molecule
- CAS
- 3891-98-3
- EC
- 622-542-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
5- 2,6,10-trimethyldodecane
- Dodecane, 2,6,10-trimethyl-
- Farnesan
- Hemisqualane
- Neossance TMD
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YFHFHLSMISYUAQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | 2,6,10-trimethyldodecane |
| Molecular formula chemrof:molecular_formula | C15H32 |
| Molecular mass chemrof:molecular_mass | 212.421 |
| Monoisotopic mass chemrof:monoisotopic_mass | 212.2504, 212.250401 |
| SMILES string chemrof:smiles_string | CCC(C)CCCC(C)CCCC(C)C |
Known URLs
15Where 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=3891-98-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36756 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.151.294 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1058634 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8X81V0IT6Q | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0302691 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.488K | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMPR0103010000 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55476 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-8764 | enrich_references.chebi_xrefs |
| patent | patent:US2008098645 | enrich_references.chebi_xrefs |
| patent | patent:US7399323 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19773 | enrich_references.pubchem_compound |
| reaxys | reaxys:1719672 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27116951 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 93d3554a-1bb3-4a57-bcc5-a267a56a781d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1d81427a-fabf-4cad-b545-71e4f3de91f5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 28de0517-6c00-4555-a741-71f2943b9d5d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| c80e8442-d340-4392-9c61-c49a8d8c3cda | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f961ce0c-3ab7-4f75-b7a0-f41b17f53719 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 85fa20f4-a618-4b19-a196-812526e27512 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| bb5fc33e-5e13-4268-ac36-730f761207cf | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 6b3eaae0-b7d5-4fa7-835c-cf4d7e5ab9fa | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a7882093-14f3-45d3-9fe7-2618a378353c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 38942558-0205-438a-a0b5-b30e319312be | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c508b832-17ce-4ac5-b31e-f382fe5306b7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 47d286af-6e28-49cd-890e-7d582185677c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| ad9a3497-50d6-4005-8b0c-de667fff7b4c | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"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 sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_36756"
],
"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