Consensus flow list

Identity

Type
Neutral molecule
CAS
105-95-3
EC
203-347-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethylene brassylate

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XRHCAGNSDHCHFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
IUPAC name chemrof:IUPAC_name Ethylene brassylate
Molecular formula chemrof:molecular_formula C15H26O4
Molecular mass chemrof:molecular_mass 270.369
Monoisotopic mass chemrof:monoisotopic_mass 270.183109, 270.18311
SMILES string chemrof:smiles_string O=C1CCCCCCCCCCCC(=O)OCCO1

Known URLs

16

Where 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=105-95-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:168721 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.044 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.54974.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044774 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=46155 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2059298 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethylene-brassylate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9A87HC7ROD enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040459 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2917.19.30.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.855D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49057 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61014 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1314363 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q21099110 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
11e8375d-75e2-40f6-a158-26a15ab7b63c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8c5fd488-a336-48ea-af2b-91bafd090e84 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
63dfa029-ebf2-4408-8613-372545ac5d12 Environmental → Air → Indoor EF 3.1 kg 4
f3f7838f-ed14-4119-95ad-4cbfc5a34fa7 Environmental → Air → Long-term EF 3.1 kg 0
f07c8c70-6d0e-44b0-a871-952ad8dbc7e5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c3e2725d-a8f4-408d-ac19-5bdab39484ea Environmental → Air → Unknown EF 3.1 kg 4
59e2ff89-511d-40fc-9e90-98257b08445c Environmental → Ground → Agricultural EF 3.1 kg 4
4f985179-7647-400e-a37b-fd66992e0e60 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ac670a1c-1d75-4151-8669-c800a60f2910 Environmental → Ground → Unknown EF 3.1 kg 4
67fd4587-51c5-47db-9b49-50472897ded3 Environmental → Water → Long-term EF 3.1 kg 0
803c259d-9ddf-4cf8-8a72-7af41382b5d7 Environmental → Water → Ocean EF 3.1 kg 4
6eb89871-290f-4af9-b5dc-380b74d5f0f0 Environmental → Water → Surface water EF 3.1 kg 4
2df9e18a-bfc1-40bb-92a3-b214ee048e5f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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}

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