Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)

Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QNESDXMHQYMNGD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3
IUPAC name chemrof:IUPAC_name	Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)
Molecular formula chemrof:molecular_formula	C30H56O6
Molecular mass chemrof:molecular_mass	512.772
Monoisotopic mass chemrof:monoisotopic_mass	512.40769
SMILES string chemrof:smiles_string	CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(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=56554-53-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.054.762	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10971994	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XF4K22WN6T	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.006C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/92447	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27293817	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
2dbf3cd6-485f-4119-93b7-e162fe3d7371	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
b70020bf-ac37-41a1-ada9-2915b1c62cc0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
681104b5-9312-4d7e-bdd2-52b38c496248	Environmental → Air → Indoor	EF 3.1	kg	2
3f5dd3ea-3c9a-430c-878e-7fe7a21a5645	Environmental → Air → Long-term	EF 3.1	kg	0
6765a344-e743-4fad-8a32-9f45e7be7d63	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
fcf42ffc-7578-4175-b00a-8751ad54b667	Environmental → Air → Unknown	EF 3.1	kg	2
6d0f895e-f184-40b4-bed0-3be91b2ead11	Environmental → Ground → Agricultural	EF 3.1	kg	2
2ce99ad3-6ff7-4006-87e5-cd5ede1fa064	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4ce99618-2ce0-4edc-a8a8-049ecc03a7da	Environmental → Ground → Unknown	EF 3.1	kg	2
a11c06ae-e85e-475f-b6dc-ce20659638af	Environmental → Water → Long-term	EF 3.1	kg	0
b3981100-0f91-464b-b788-f4100e0f095c	Environmental → Water → Ocean	EF 3.1	kg	2
f19183b7-40e3-4997-bfaf-e597a34037ff	Environmental → Water → Surface water	EF 3.1	kg	2
07f67f26-4217-44a3-a82d-99d46782bf05	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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