3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl Heptanoate (non-preferred Name)

Heptanoic acid, 1,1′-[2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester
Heptanoic acid, 2,2-bis[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester
Heptanoic acid, neopentanetetrayl ester
Pentaerythritol tetra-n-heptanoate
Pentaerythritol tetraenanthate
Pentaerythritol, tetraheptanoate
Pentaerythrityl tetraheptanoate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NCGQPNAQUYGWMI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C33H60O8/c1-5-9-13-17-21-29(34)38-25-33(26-39-30(35)22-18-14-10-6-2,27-40-31(36)23-19-15-11-7-3)28-41-32(37)24-20-16-12-8-4/h5-28H2,1-4H3
IUPAC name chemrof:IUPAC_name	Pentaerythritol tetra-n-heptanoate
Molecular formula chemrof:molecular_formula	C33H60O8
Molecular mass chemrof:molecular_mass	584.835
Monoisotopic mass chemrof:monoisotopic_mass	584.428819
SMILES string chemrof:smiles_string	CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC

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=25811-35-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.042.967	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID50180467	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/750HPD2T6W	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.231J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/117642	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27266319	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f637fe28-6aff-4c12-8ddc-3aa9ed48ea57	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
47f72c1c-a8cc-414f-9fef-e964a1d31cad	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
2c77dd8c-9e7c-4e2c-bcab-2fed07ac6704	Environmental → Air → Indoor	EF 3.1	kg	4
33250900-8dc7-43a5-84a7-36d58f7419fb	Environmental → Air → Long-term	EF 3.1	kg	0
b1211ed2-dad6-48e9-be7c-b793d45fa05b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
4afaeb2f-0649-495f-9e6b-0e45a4cf0062	Environmental → Air → Unknown	EF 3.1	kg	4
db66e197-8fc7-42ee-8ce4-0c419ecd44a9	Environmental → Ground → Agricultural	EF 3.1	kg	4
c3e86f98-674b-4c77-9c1f-648eba0393ac	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
8315f1b1-d27a-497c-a7db-9dfcd1c0647a	Environmental → Ground → Unknown	EF 3.1	kg	4
58f6f6a1-dd48-42ce-8787-6fa8a093d1da	Environmental → Water → Long-term	EF 3.1	kg	0
5f4eaae2-9765-442f-9c26-bc00828b82b8	Environmental → Water → Ocean	EF 3.1	kg	4
aa8b53d4-e76f-44ee-a6a9-ca4b8e6581da	Environmental → Water → Surface water	EF 3.1	kg	4
794a7ede-9ac1-4b28-8c22-495e1f5980f5	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl Heptanoate (non-preferred Name)

Identity

Structure

Alternative labels

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Known URLs

Elementary flows

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