Butanoic Acid, 2-methyl-, Ethyl Ester

(±)-Ethyl 2-methylbutanoate
2-methylbutanoic acid ethyl ester
2-Methylbutyric acid ethyl ester
butyric acid, 2-methyl-, ethyl ester
ethyl 2-methylbutanoate
Ethyl 2-methylbutyrate
ethyl alpha-methylbutyrate
Ethyl α-methylbutyrate

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	HCRBXQFHJMCTLF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name	Butanoic Acid, 2-methyl-, Ethyl Ester
Molecular formula chemrof:molecular_formula	C7H14O2
Molecular mass chemrof:molecular_mass	130.187
Monoisotopic mass chemrof:monoisotopic_mass	130.09938
SMILES string chemrof:smiles_string	CCOC(=O)C(C)CC

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=7452-79-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88452	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.028.387	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3052488	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1103	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/ethyl-2-methylbutyrate	enrich_references.pubchem_identifier_url
foodb.food	foodb.food:FDB011877	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L1T4AB29DS	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0033745	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J124.069B	enrich_references.pubchem_identifier_url
knapsack	knapsack:C00030220	enrich_references.chebi_xrefs
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA07010506	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4151	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/24020	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1993	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/17314143	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/23787728	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/24661745	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29622195	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30384466	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30458270	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30539627	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30892030	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31167477	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31260121	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31606633	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31654952	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32069959	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32474932	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32535908	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32825204	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32898595	enrich_references.chebi_xrefs
reaxys	reaxys:1720887	enrich_references.chebi_xrefs
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1312568	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q1371466	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e46802b6-5ab5-4388-8b3d-c4ff578bce4e	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
29428e49-fcc0-4d7d-aba8-16c35df2b195	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3080b908-c167-4f56-a909-1b76b42fc1d9	Environmental → Air → Indoor	EF 3.1	kg	4
ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7	Environmental → Air → Long-term	EF 3.1	kg	0
f915a761-9d9a-4f84-bdb9-eee588b4b104	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
3b9c4367-eced-4b24-976d-647826fd2c64	Environmental → Air → Unknown	EF 3.1	kg	4
dbe85e82-105e-4aee-8a4d-16c335167d7e	Environmental → Ground → Agricultural	EF 3.1	kg	4
47296570-1307-4802-ab3e-62b1f889e753	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
25e3284b-0089-4c5c-848c-dbe29dc41217	Environmental → Ground → Unknown	EF 3.1	kg	4
073fae84-b941-4433-9d9e-293d78b8419f	Environmental → Water → Long-term	EF 3.1	kg	0
c2608b3a-ee09-4eb7-bf1f-5f007fae0b16	Environmental → Water → Ocean	EF 3.1	kg	4
85ceb589-332b-408b-a56d-95235968c862	Environmental → Water → Surface water	EF 3.1	kg	4
572d5f37-722d-47a7-b2a9-4ee96b2b8fbd	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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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

Butanoic Acid, 2-methyl-, Ethyl Ester

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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