(±)-2-methylbutyric Acid
fo-7ec5040940529620
Identity
- Type
- Neutral molecule
- CAS
- 600-07-7
- EC
- 209-982-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
19- (±)-2-Methylbutanoic acid
- (±)-Methylethylacetic acid
- (±)-α-Methylbutyric acid
- 2-Ethylpropanoic acid
- 2-Methyl-n-butyric acid
- 2-Methylbutanoic acid
- 2-Methylbutyric acid
- Active valeric acid
- Butanoic acid, 2-methyl-
- Butyric acid, 2-methyl-
- Butyric acid, α-methyl-
- DL-2-Methylbutanoic acid
- DL-2-Methylbutyric acid
- DL-α-Methylbutyric acid
- Ethylmethylacetic acid
- Hydroangelic acid
- Methylethylacetic acid
- α-Methyl-n-butyric acid
- α-Methylbutyric acid
Properties
| Property | Value |
|---|---|
| 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
20Where 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 | 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)
Full record
Flow object JSON
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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