Octyl Octanoate

1-Octanol octanoate
1-Octyl octanoate
Caprylic acid, octyl ester
Caprylyl caprylate
Cetiol 88
Estol 1540EHC
n-Octyl caprylate
n-Octyl n-octanoate
Octanoic acid, octyl ester
Octyl caprylate
Octyl octanathioate

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	DJNTZVRUYMHBTD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
IUPAC name chemrof:IUPAC_name	Octyl Octanoate
Molecular formula chemrof:molecular_formula	C16H32O2
Molecular mass chemrof:molecular_mass	256.43
Monoisotopic mass chemrof:monoisotopic_mass	256.24023
SMILES string chemrof:smiles_string	CCCCCCCCOC(=O)CCCCCCC

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=2306-88-9	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:174371	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.017.255	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.55233.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3062318	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=23957	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/octyl-octanoate	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MM00XO86JQ	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0033166	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J115.088J	enrich_references.pubchem_identifier_url
LIPID MAPS	https://www.lipidmaps.org/databases/lmsd/LMFA07010449	enrich_references.chebi_xrefs
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA07010449	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=4094	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/61294	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27284107	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
95f78ba2-9463-4e9f-8249-c593be81f2ec	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
a0edb07a-2ec0-4013-9eee-8c585b7e518e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
71c36551-4332-4a0d-9ad0-abfd59babd7b	Environmental → Air → Indoor	EF 3.1	kg	4
c61608eb-4ad8-4dec-b24b-788a94fb668a	Environmental → Air → Long-term	EF 3.1	kg	0
61f67646-3248-4eed-a21a-0b42031b81ca	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
33298f08-e389-4575-bfe3-63efd9f1cca9	Environmental → Air → Unknown	EF 3.1	kg	4
8d1c046c-146e-49f4-8d7c-fe737cce264a	Environmental → Ground → Agricultural	EF 3.1	kg	4
f4964480-50b3-42c5-a270-71b5ba646898	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
41c7991f-f852-4735-a451-999b2822f7ab	Environmental → Ground → Unknown	EF 3.1	kg	4
6b82ad22-4f7d-46cd-a106-d4f8a27178d7	Environmental → Water → Long-term	EF 3.1	kg	0
b7f714f5-0138-4ca1-ba08-1b63ab63e9da	Environmental → Water → Ocean	EF 3.1	kg	4
008f0b28-5695-440c-8b36-e9611adce627	Environmental → Water → Surface water	EF 3.1	kg	4
8757c6a0-898e-42b7-9950-04cc2bf72c3a	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-a9f2a5e3c6e6ca73",
  "prefLabel": [
    {
      "@value": "Octyl Octanoate",
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  ],
  "altLabel": [
    {
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    },
    {
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    {
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    {
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Octyl Octanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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