2-ethylhexyl Cyanoacetate

2-Ethylhexyl 2-cyanoacetate
Acetic acid, 2-cyano-, 2-ethylhexyl ester
Acetic acid, cyano-, 2-ethylhexyl ester
Cyanoacetic acid 2-ethylhexyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ZNYBQVBNSXLZNI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
IUPAC name chemrof:IUPAC_name	2-ethylhexyl Cyanoacetate
Molecular formula chemrof:molecular_formula	C11H19NO2
Molecular mass chemrof:molecular_mass	197.278
Monoisotopic mass chemrof:monoisotopic_mass	197.141579
SMILES string chemrof:smiles_string	CCCCC(CC)COC(=O)CC#N

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=13361-34-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.033.099	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9044378	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=69963	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182549	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6D8I2A0O4D	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.872G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/96359	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27264566	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bc81c87b-b0bd-46dc-ae0d-fd22a02a828f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
89ffec6c-8ed8-4312-9b45-93253f0eb818	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c9c77c6a-eb9e-43dd-91a5-e29da2cfcd43	Environmental → Air → Indoor	EF 3.1	kg	2
e1fec021-e541-4b58-ae8b-c3a10343b796	Environmental → Air → Long-term	EF 3.1	kg	0
2f6e7476-4b53-4844-872b-1b7974fd695e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
58090226-e8c0-4278-9c7f-fc8dbcbc4086	Environmental → Air → Unknown	EF 3.1	kg	2
67f89bbf-26a2-4b44-9628-7330c46636b0	Environmental → Ground → Agricultural	EF 3.1	kg	2
da110afd-f5e7-490a-8df6-5bfeda27224e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
f8e5d3ef-a255-4371-9613-0c8ec0bd5137	Environmental → Ground → Unknown	EF 3.1	kg	2
67364570-f159-4219-86b5-987cc62eb3a5	Environmental → Water → Long-term	EF 3.1	kg	0
71076096-8691-428e-ae6c-8aa31f5486e4	Environmental → Water → Ocean	EF 3.1	kg	2
d59c9ba9-dfec-4183-9400-ca84bd46b804	Environmental → Water → Surface water	EF 3.1	kg	2
c622ad81-a5af-4a35-ae20-e0d71205a6ad	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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2-ethylhexyl Cyanoacetate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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