Consensus flow list

Identity

Type
Neutral molecule
CAS
39255-32-8
EC
254-384-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethyl 2-methylpentanoate

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HZPKNSYIDSNZKW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
IUPAC name chemrof:IUPAC_name Ethyl 2-methylpentanoate
Molecular formula chemrof:molecular_formula C8H16O2
Molecular mass chemrof:molecular_mass 144.214
Monoisotopic mass chemrof:monoisotopic_mass 144.11503
SMILES string chemrof:smiles_string CCCC(C)C(=O)OCC

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=39255-32-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179947 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.422 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.56627.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7047198 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186172 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethyl-2-methylpentanoate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/405SN8638D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031579 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.336J enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA07010860 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA07010860 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44968 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62902 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2557367 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q6753428 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Manzanate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
83451b63-b00e-4534-8712-6ddf80e3ea83 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
42ca7bec-03fa-4665-a60c-73046a331974 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f927114d-3a00-446d-82ad-857a19523ca8 Environmental → Air → Indoor EF 3.1 kg 4
95b3f65c-c5cd-44d8-9092-3b05f15e6508 Environmental → Air → Long-term EF 3.1 kg 0
bcebf184-5921-4b01-b8c6-d0ebb6f90b7f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fb46d0d0-5a5a-41b9-9b75-5cfc303aa39a Environmental → Air → Unknown EF 3.1 kg 4
f5a614d8-49de-4d48-b041-c51895cfcae0 Environmental → Ground → Agricultural EF 3.1 kg 4
e2177dec-5eff-432c-9239-31c92c0bb48f Environmental → Ground → Non-agricultural EF 3.1 kg 4
65f3dce4-a19f-4f34-b89b-f0417f494316 Environmental → Ground → Unknown EF 3.1 kg 4
caccfaa0-731e-4271-9bd1-722ed662bc93 Environmental → Water → Long-term EF 3.1 kg 0
52f0bf35-3c5e-44a8-956f-5e13306ab59b Environmental → Water → Ocean EF 3.1 kg 4
011276db-6e7a-4c90-901f-eb47196171db Environmental → Water → Surface water EF 3.1 kg 4
05426178-0ea0-4d39-8296-0c3664731bde 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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