Consensus flow list

Identity

Type
NeutralMolecule
CAS
600-07-7
EC
209-982-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (±)-2-methylbutyric Acid

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WLAMNBDJUVNPJU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
IUPAC name chemrof:IUPAC_name (±)-2-methylbutyric Acid
Molecular formula chemrof:molecular_formula C5H10O2
Molecular mass chemrof:molecular_mass 102.133
Monoisotopic mass chemrof:monoisotopic_mass 102.06808
SMILES string chemrof:smiles_string CCC(C)C(=O)O

Known URLs

20

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=151687-96-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=600-07-7 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37070 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.769 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.076 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021621 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03741 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB05384 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7304 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1160012 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/2-methylbutyric-acid enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PX7ZNN5GXK enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002176 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.000A enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C18319 enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01020072 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=142 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8314 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q209433 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Methylbutanoic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
81eea05c-11d6-4831-a8cd-73dcad08e833 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b56845ea-672e-4c05-b908-5378c5a71221 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c7ceb1ea-d7f3-41e9-a2eb-e1612e30abfb Environmental → Air → Indoor EF 3.1 kg 2
d0227cea-eee7-4c47-9a22-1f8b834df1e3 Environmental → Air → Long-term EF 3.1 kg 0
b3a480de-4690-4ec3-bd0c-d464f07c4a4f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a33d2589-6aea-4bc9-b52c-3c38e0cd409b Environmental → Air → Unknown EF 3.1 kg 2
0b05a4a9-89a6-4be4-9345-58e4e3e4ae3f Environmental → Ground → Agricultural EF 3.1 kg 2
6401a301-5b48-41bf-be91-70db20ff87c2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
58bd6a3c-f5fe-4644-a1e9-4f931fde07c3 Environmental → Ground → Unknown EF 3.1 kg 2
71e2c174-ea8e-48ba-b058-a86678ea71a8 Environmental → Water → Long-term EF 3.1 kg 0
aaec5b35-0176-4505-ad6a-9db413f0c1b4 Environmental → Water → Ocean EF 3.1 kg 2
a23cc9c8-d537-4e38-bd95-2b6be56c87a3 Environmental → Water → Surface water EF 3.1 kg 2
a0a5d153-534d-4bd4-b793-c634d6b8d617 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7ec5040940529620",
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  "altLabel": [
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    {
      "@value": "(±)-Methylethylacetic acid",
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    {
      "@value": "(±)-α-Methylbutyric acid",
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    {
      "@value": "2-Ethylpropanoic acid",
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    {
      "@value": "2-Methyl-n-butyric acid",
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      "@value": "Active valeric acid",
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      "@value": "Butanoic acid, 2-methyl-",
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    {
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      "@value": "Ethylmethylacetic acid",
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      "@value": "Hydroangelic acid",
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    {
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