Fatty Acids, C5-9, Tetraesters With 2,2-bis(hydroxymethyl)1,3-propanediol

Carboxylic acids, C5-9, tetraesters with pentaerythritol
Fatty acids, C5-9, tetraesters with pentaerythritol

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PIZFEKJNYKNABG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C33H68O4/c1-5-9-13-17-21-25-34-29-33(30-35-26-22-18-14-10-6-2,31-36-27-23-19-15-11-7-3)32-37-28-24-20-16-12-8-4/h5-32H2,1-4H3
IUPAC name chemrof:IUPAC_name	1-[3-heptoxy-2,2-bis(heptoxymethyl)propoxy]heptane
Molecular formula chemrof:molecular_formula	C33H68O4
Molecular mass chemrof:molecular_mass	528.903
Monoisotopic mass chemrof:monoisotopic_mass	528.511761
SMILES string chemrof:smiles_string	CCCCCCCOCC(COCCCCCCC)(COCCCCCCC)COCCCCCCC

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=67762-53-2	enrich_references.consensus_cas_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID50867322	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/105575	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
2b6fe2d5-f462-4412-9473-456465e020d7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
454f80b8-6d85-47ef-af82-93befcb4c1b4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
d4dde65f-6ceb-4e70-9c2b-8ca0ca529782	Environmental → Air → Indoor	EF 3.1	kg	4
f36b88cf-68ab-414e-a0f9-0e30ad015a2a	Environmental → Air → Long-term	EF 3.1	kg	0
de578b38-9f36-4482-b4ac-692906d5d021	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
26f90a94-51ee-4d8e-93c7-10c89616114d	Environmental → Air → Unknown	EF 3.1	kg	4
794dc7b7-af36-4e90-8483-7e675140121d	Environmental → Ground → Agricultural	EF 3.1	kg	4
561dbf1a-feb5-4ac3-b61b-bf267141f1cb	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
52c2dba7-b4bc-4426-9e13-10c55065ae2e	Environmental → Ground → Unknown	EF 3.1	kg	4
13c46d8e-97ef-4450-89bf-b8756701b938	Environmental → Water → Long-term	EF 3.1	kg	0
503883f3-41f5-472c-bc86-07536d606d27	Environmental → Water → Ocean	EF 3.1	kg	4
ce15ca99-4072-4c6f-9a46-027d429bb33e	Environmental → Water → Surface water	EF 3.1	kg	4
2ff1ea24-9c8f-4563-bc70-b64f4b5ed250	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

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Flow object JSON

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Fatty Acids, C5-9, Tetraesters With 2,2-bis(hydroxymethyl)1,3-propanediol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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