2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl Diisononanoate

Isononanoic acid, 1,1′-[2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl] ester
Isononanoic acid, 2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl ester
Pelemol P 49
Pentaerythritol tetraisonanoate
Pentaerythrityl tetraisononanoate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PPKAGMLCLQWXJX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C41H76O8/c1-33(2)21-13-9-17-25-37(42)46-29-41(30-47-38(43)26-18-10-14-22-34(3)4,31-48-39(44)27-19-11-15-23-35(5)6)32-49-40(45)28-20-12-16-24-36(7)8/h33-36H,9-32H2,1-8H3
IUPAC name chemrof:IUPAC_name	2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl Diisononanoate
Molecular formula chemrof:molecular_formula	C41H76O8
Molecular mass chemrof:molecular_mass	697.051
Monoisotopic mass chemrof:monoisotopic_mass	696.554019
SMILES string chemrof:smiles_string	CC(C)CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C

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=93803-89-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.089.379	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40917865	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8NR9444E9U	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/17907846	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27270792	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
15c6ced5-d363-4ec3-a4b6-23e24703b1a0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
610cc043-c521-4ea7-abd6-45d47659642f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
2964da3d-deb2-400f-9ebf-470c1ded3fd6	Environmental → Air → Indoor	EF 3.1	kg	4
f746a142-0a7c-4fab-9ca0-cb22827c3efe	Environmental → Air → Long-term	EF 3.1	kg	0
279619c6-890e-433b-97b7-0665be583829	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
fe5b9ebd-cac3-40e8-b25b-b325c90b85ef	Environmental → Air → Unknown	EF 3.1	kg	4
c68ef1eb-0ba2-452c-9dce-cb9bae97b491	Environmental → Ground → Agricultural	EF 3.1	kg	4
74ce29cd-a81b-41af-a80b-f6225dcbd803	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
d1bedbb6-b88e-4fa6-873a-0031f6ef5755	Environmental → Ground → Unknown	EF 3.1	kg	4
da5bcdb0-c4c1-42fd-8250-874c3e7398c9	Environmental → Water → Long-term	EF 3.1	kg	0
abfaa6f1-250f-4381-bc62-c0e38a95a944	Environmental → Water → Ocean	EF 3.1	kg	4
88d0a1fe-bdfd-4783-acdc-044701a7818d	Environmental → Water → Surface water	EF 3.1	kg	4
0c5c2a44-72ae-4052-ab0f-e5041d193ef6	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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2,2-bis[[(1-oxoisononyl)oxy]methyl]-1,3-propanediyl Diisononanoate

Identity

Structure

Alternative labels

Properties

Known URLs

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