1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate

1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester
1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester
Butyryl tri-n-hexyl citrate
Butyryl trihexyl citrate
Citroflex B 6
Trihexyl butyrylcitrate
Trihexyl citrate butyrate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GWVUTNGDMGTPFE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3
IUPAC name chemrof:IUPAC_name	1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate
Molecular formula chemrof:molecular_formula	C28H50O8
Molecular mass chemrof:molecular_mass	514.7
Monoisotopic mass chemrof:monoisotopic_mass	514.350569
SMILES string chemrof:smiles_string	CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC

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=82469-79-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.101.306	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.110.139	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0047535	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185537	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M4974DI70C	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0247498	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J862.297C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/133914	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27283477	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
20ab7c59-bf41-4ca5-bdd7-95de36fb662f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
17a20e1b-95b2-42b7-8b79-d22e55c6715f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
e16aec11-f2be-47f1-bc87-1f6f2006f540	Environmental → Air → Indoor	EF 3.1	kg	4
f5437597-e81c-4365-a122-1d17d8d9ec74	Environmental → Air → Long-term	EF 3.1	kg	0
8bcebfeb-4d31-4aef-8b6b-a2a746737442	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
c1a3a883-a7b8-44c8-86c5-54317e0b5283	Environmental → Air → Unknown	EF 3.1	kg	4
44359a3a-01fe-4537-81b2-290f7a7ec54a	Environmental → Ground → Agricultural	EF 3.1	kg	4
dff7c0a4-dac0-40f8-896b-830441afe10a	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
da54790b-476d-4480-9f0a-fc12cd417403	Environmental → Ground → Unknown	EF 3.1	kg	4
854cdbba-79af-4903-8314-52c9c64f4d55	Environmental → Water → Long-term	EF 3.1	kg	0
54ee6468-97fc-4877-93a5-2e099656ad53	Environmental → Water → Ocean	EF 3.1	kg	4
eecbf0ef-ca1d-4819-b12e-0dffb9c9dea0	Environmental → Water → Surface water	EF 3.1	kg	4
7acd1600-85c8-4350-a0bc-9622918f24d1	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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1,2,3-trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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