2-ethylhexanoic Acid

(±)-2-Ethylhexanoic acid
2-Butylbutanoic acid
2-Ethyl-1-hexanoic acid
2-Ethylcaproic acid
2-Ethylhexoic acid
3-Heptanecarboxylic acid
Butylethylacetic acid
Caproic acid, α-ethyl-
Ethylhexanoic acid
Hexanoic acid, 2-ethyl-
α-Ethylcaproic acid
α-Ethylhexanoic acid

Property	Value
InChI2D key string chemrof:inchi2d_key_string	OBETXYAYXDNJHR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
IUPAC name chemrof:IUPAC_name	2-ethylhexanoic Acid
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	CCCCC(CC)C(=O)O

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=149-57-5	enrich_references.consensus_cas_link
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89058	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.005.222	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0477	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9025293	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8881	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1162485	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/01MU2J7VVZ	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0031230	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.965I	enrich_references.pubchem_identifier_url
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA01020087	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=157	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8697	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=530593	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q209384	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2-Ethylhexanoic_acid	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
91ce4f3a-be48-46cb-85cb-9808119b6ad1	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
0a9218be-d687-4647-bf16-bf928676a954	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
8d79a1cd-e714-4d91-8a9f-7a6f05689a28	Environmental → Air → Indoor	EF 3.1	kg	4
5a480cb2-2b52-4a74-8032-824e0af957e6	Environmental → Air → Long-term	EF 3.1	kg	0
82a6bc32-2b3d-44f1-823c-b7a956125127	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
0bb81f95-4428-4a5b-90c8-17735cc7f581	Environmental → Air → Unknown	EF 3.1	kg	4
730ba48f-f2f6-436b-b281-3032ccd0ec65	Environmental → Ground → Agricultural	EF 3.1	kg	4
5400825a-f671-47e1-9247-73e8169a0490	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
71c585ef-0613-47d7-bdd2-29373a59d9df	Environmental → Ground → Unknown	EF 3.1	kg	4
9752cfd4-0e9c-429d-ad2f-ad1e969ac313	Environmental → Water → Long-term	EF 3.1	kg	0
28d57275-227c-4e6b-a73f-64ff26aa7f48	Environmental → Water → Ocean	EF 3.1	kg	4
2198f1ae-9ea5-404e-bf5d-ee1ca2fbc4ce	Environmental → Water → Surface water	EF 3.1	kg	4
cbce3c08-76bd-4acb-aaf1-44e61b7ea6fa	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 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

2-ethylhexanoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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