Consensus flow list

2-Ethylbutanoic acid

fo-d57981cf9c09a587

Identity

Type
Neutral molecule
CAS
88-09-5
EC
201-796-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 2-Ethylbutanoic acid

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OXQGTIUCKGYOAA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
IUPAC name chemrof:IUPAC_name 2-Ethylbutanoic acid
Molecular formula chemrof:molecular_formula C6H12O2
Molecular mass chemrof:molecular_mass 116.16
Monoisotopic mass chemrof:monoisotopic_mass 116.08373
SMILES string chemrof:smiles_string CCC(CC)C(=O)O

Known URLs

17

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=88-09-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:173424 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.634 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6649.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2041418 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11765 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8758 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL184290 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/2-ethylbutyric-acid enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IDY8B990KE enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031221 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.213A enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01020077 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01020077 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6915 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q10844268 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0bd27081-9ace-46ff-8940-e8a8e05ac4a7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
56e2d9c3-9ee0-4fef-a658-de50a89609bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d2167562-d4f3-4a7c-a012-7c8bf796f398 Environmental → Air → Indoor EF 3.1 kg 2
70669b33-b933-4d74-b419-fda5afeedefa Environmental → Air → Long-term EF 3.1 kg 0
22a445b8-6984-43ed-beab-c8d3ae345703 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f362efef-4407-43e7-b5a3-763dd02bf554 Environmental → Air → Unknown EF 3.1 kg 2
750024cd-6c9a-4401-a69f-4032035f7672 Environmental → Ground → Agricultural EF 3.1 kg 2
58ce24cd-9ad0-4902-a414-dd1aec5b95b6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
40b3ad73-ebe3-4fee-954b-8cf0d78e3bd1 Environmental → Ground → Unknown EF 3.1 kg 2
571a8c47-154d-4575-84a0-821b5c557b30 Environmental → Water → Long-term EF 3.1 kg 0
03e6080d-c37f-4281-a209-8c3db0fababc Environmental → Water → Ocean EF 3.1 kg 2
6449eee2-188b-43c0-a04f-75fd368a891b Environmental → Water → Surface water EF 3.1 kg 2
11850a5c-939e-46be-859a-f8323d6f4d5e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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