Propanoic Acid, 2-hydroxy-, Octyl Ester

Lactic acid, octyl ester
Octyl (±)-lactate
Octyl lactate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SFBIZPBTKROSDE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10,12H,3-9H2,1-2H3
IUPAC name chemrof:IUPAC_name	Propanoic Acid, 2-hydroxy-, Octyl Ester
Molecular formula chemrof:molecular_formula	C11H22O3
Molecular mass chemrof:molecular_mass	202.294
Monoisotopic mass chemrof:monoisotopic_mass	202.156895
SMILES string chemrof:smiles_string	CCCCCCCCOC(=O)C(C)O

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=5464-71-1	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID50858750	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15443	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.586.942I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/95499	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81986172	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
121a78e4-e64a-4008-a27d-1541ee374ae2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f4973fbb-d3db-44aa-bd44-41205d382ac7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
121adf35-c796-4579-b8da-cc22315089ef	Environmental → Air → Indoor	EF 3.1	kg	2
598f5ff4-592f-4bf3-a642-ed1cb71f15f8	Environmental → Air → Long-term	EF 3.1	kg	0
434aa574-ad76-431c-bd54-ea0d4dddb436	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
1c299f9e-ebd4-4542-bfa5-f887c97c935c	Environmental → Air → Unknown	EF 3.1	kg	2
9fb209a8-83bc-458a-bd5d-16f7795773a7	Environmental → Ground → Agricultural	EF 3.1	kg	2
5ff8e46e-c6d9-4cc9-bc66-a44786290e3b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
1058fa0e-b36b-4bc6-8c8c-c8446e482df7	Environmental → Ground → Unknown	EF 3.1	kg	2
9368fefc-cbb1-4967-b692-d97ce3a436e1	Environmental → Water → Long-term	EF 3.1	kg	0
f18d7964-abfe-4ead-b5d1-879da29f9b5d	Environmental → Water → Ocean	EF 3.1	kg	2
78cab01b-7fb5-41cf-921b-84a153b81bf8	Environmental → Water → Surface water	EF 3.1	kg	2
2bd5fdc9-7621-4222-9ec1-540ac2d26a4a	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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Propanoic Acid, 2-hydroxy-, Octyl Ester

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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