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2-Ethyl-2-hexenal

fo-cfd6625ced07dd0d

Identity

Type
Neutral molecule
CAS
645-62-5
EC
211-448-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 2-Ethyl-2-hexenal

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PYLMCYQHBRSDND-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-Ethyl-2-hexenal
Molecular formula chemrof:molecular_formula C8H14O
Molecular mass chemrof:molecular_mass 126.199
Monoisotopic mass chemrof:monoisotopic_mass 126.104465, 126.10447
SMILES string chemrof:smiles_string CCCC=C(C=O)CC

Known URLs

21

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
agr agr:IND607150542 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=645-62-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88838 enrich_references.chebi_id_link
ChemSpider https://www.chemspider.com/Chemical-Structure.12062.html enrich_references.chebi_xrefs
HMDB https://hmdb.ca/metabolites/HMDB0061945 enrich_references.chebi_xrefs
knapsack knapsack:C00052632 enrich_references.chebi_xrefs
patent patent:EP0539002 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11902946 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12381133 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15453697 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16124263 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18102909 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19154152 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19254022 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25314616 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3097298 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33133753 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33133786 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3962361 enrich_references.chebi_xrefs
reaxys reaxys:1742488 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
9edcb0f8-4b5a-45b2-a8be-ae1775973347 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
06ee650d-3f5d-45ed-b878-9af8b2463d09 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
253910df-3eb3-44c3-85f4-d04f92ebb87e Environmental → Air → Indoor EF 3.1 kg 2
54d56fd5-9ac2-4c2e-8003-dfdac9470497 Environmental → Air → Long-term EF 3.1 kg 0
3257545e-bd0c-4035-a6c8-a74d13e8b6a4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8ee1d4de-13c8-4dc5-88f7-d2c5e12698ab Environmental → Air → Unknown EF 3.1 kg 2
7cb2bc3b-995e-48d7-b982-13fdeea9b740 Environmental → Ground → Agricultural EF 3.1 kg 2
dfa40e93-5b2e-4f36-99b9-278040858fef Environmental → Ground → Non-agricultural EF 3.1 kg 2
a465f495-e149-4d28-bde4-58cb7191feaa Environmental → Ground → Unknown EF 3.1 kg 2
a7f8990a-e927-4080-97db-507da0accf45 Environmental → Water → Long-term EF 3.1 kg 0
d3c06b85-0a7e-407b-9c33-aed6218fb299 Environmental → Water → Ocean EF 3.1 kg 2
9fd38a8c-c48a-4cd7-9df2-5d518dd80138 Environmental → Water → Surface water EF 3.1 kg 2
12948a94-5d8a-4a24-8dde-9c9c0270a0a9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-cfd6625ced07dd0d",
  "prefLabel": [
    {
      "@value": "2-Ethyl-2-hexenal",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "2-ethyl-2-hexen-1-al",
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    {
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    {
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    {
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    },
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      "@value": "2-ethylhex-2-enal",
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    },
    {
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    {
      "@value": "2-Hexenal, 2-ethyl-",
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    {
      "@value": "alpha-ethyl-2-hexenal",
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}

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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

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