Consensus flow list

2-ethylhexanoyl Chloride

fo-1801a34318e451f1

Identity

Type
Neutral molecule
CAS
760-67-8
EC
212-081-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-ethylhexanoyl Chloride

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WFSGQBNCVASPMW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-ethylhexanoyl Chloride
Molecular formula chemrof:molecular_formula C8H15ClO
Molecular mass chemrof:molecular_mass 162.66
Monoisotopic mass chemrof:monoisotopic_mass 162.081143
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)Cl

Known URLs

9

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=760-67-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.983 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5027308 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=87892 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182853 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/81065MP285 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.162C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79103 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27269184 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2202ced6-3e4a-4d71-b5cf-1ba4580325f2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
21346df6-e38a-496d-9d48-d812b27ed8b2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aa6fecd3-f81c-4887-8597-e2f33de14e64 Environmental → Air → Indoor EF 3.1 kg 2
007a8f8c-8e47-4811-9f1e-4920ed5b8f9b Environmental → Air → Long-term EF 3.1 kg 0
ed9924fc-ed23-42a6-9f8e-2ff858ecde15 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4727dc6b-dec7-49cf-8ad1-45457d32e7a2 Environmental → Air → Unknown EF 3.1 kg 2
2bc4f3ce-f185-4f83-89db-f16f2b8c6f39 Environmental → Ground → Agricultural EF 3.1 kg 2
845073ce-ccc7-455e-b540-25111e6f77bd Environmental → Ground → Non-agricultural EF 3.1 kg 2
a95ab541-bc35-4a95-9e6f-06ccebaaa4c8 Environmental → Ground → Unknown EF 3.1 kg 2
3e3d990c-c9a3-425b-a89e-90f9e14ed317 Environmental → Water → Long-term EF 3.1 kg 0
2d7f64d8-655a-496b-8439-28cf32005bf6 Environmental → Water → Ocean EF 3.1 kg 2
9733f7ad-321b-4048-94ae-c626b4decc77 Environmental → Water → Surface water EF 3.1 kg 2
730379a6-c52d-4d05-9ba4-91c4aeb2398e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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    {
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}

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