Nonan-5-one

5-Nonanone
Butyl ketone
Dibutyl ketone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WSGCRAOTEDLMFQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name	Nonan-5-one
Molecular formula chemrof:molecular_formula	C9H18O
Molecular mass chemrof:molecular_mass	142.242
Monoisotopic mass chemrof:monoisotopic_mass	142.135765
SMILES string chemrof:smiles_string	CCCCC(=O)CCCC

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=502-56-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.007.224	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID7022045	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14761	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V8B2Y1BZ3S	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0246832	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.203K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10405	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1224	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27291664	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/5-Nonanone	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f96ddc72-e0ae-41bb-9f9c-3717b450712f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
9a8005a5-1102-4f32-a342-55517196582f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
5b8984e7-17cf-4c8b-9155-048c16eeecba	Environmental → Air → Indoor	EF 3.1	kg	2
f7e5501d-486a-4fd3-8af3-52deb837f23e	Environmental → Air → Long-term	EF 3.1	kg	0
06ddb490-2f88-4946-9955-c3217c88e59d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
e798c5ea-f88f-4062-a48d-ace336b23edf	Environmental → Air → Unknown	EF 3.1	kg	2
57e82448-adfd-4a84-8471-ab8699be11dd	Environmental → Ground → Agricultural	EF 3.1	kg	2
569196cf-5ebb-4496-bf3f-b497caf517bd	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
1fc7e208-cd99-4faf-86ad-71a39a7f0659	Environmental → Ground → Unknown	EF 3.1	kg	2
6faf2ea7-122d-4c3e-be41-ac95b39cb893	Environmental → Water → Long-term	EF 3.1	kg	0
1b883ea2-00dc-44fa-babe-4ff2f887a3be	Environmental → Water → Ocean	EF 3.1	kg	2
d5f501a6-22c6-4e1f-b42a-8f5ba6b8983c	Environmental → Water → Surface water	EF 3.1	kg	2
48edc6db-c873-469e-bd7c-80b91445aa26	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-cbf7715a673728aa",
  "prefLabel": [
    {
      "@value": "Nonan-5-one",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "5-Nonanone",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Butyl ketone",
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    },
    {
      "@value": "Dibutyl ketone",
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  "properties": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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Nonan-5-one

Identity

Structure

Alternative labels

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