Fatty Acids C16 – 18 ( Even Numbered), C18 Branched Tetra Esters With Pentaerythritol

Crodamol PTIS
Crodamol PTIS-LQ
Crodamol PTIS-LQ-(MH)
Crodesta PTIS-LQ-(MV)
Esterol PT-ISHV
Hest P 4IS
Isooctadecanoic acid, 1,1′-[2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl] ester
Isooctadecanoic acid, 2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl ester
KAK-PTI
Pentaerythritol tetraisooctanoate
Pentaerythritol tetraisostearate
Pentaerythrityl tetraisostearate
Pentara N 408

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LPGFSDGXTDNTCB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C77H148O8/c1-69(2)57-49-41-33-25-17-9-13-21-29-37-45-53-61-73(78)82-65-77(66-83-74(79)62-54-46-38-30-22-14-10-18-26-34-42-50-58-70(3)4,67-84-75(80)63-55-47-39-31-23-15-11-19-27-35-43-51-59-71(5)6)68-85-76(81)64-56-48-40-32-24-16-12-20-28-36-44-52-60-72(7)8/h69-72H,9-68H2,1-8H3
IUPAC name chemrof:IUPAC_name	16-methylheptadecanoic acid [3-(16-methyl-1-oxoheptadecoxy)-2,2-bis[(16-methyl-1-oxoheptadecoxy)methyl]propyl] ester, 16-methylheptadecanoic acid [3-(16-methylheptadecanoyloxy)-2,2-bis(16-methylheptadecanoyloxymethyl)propyl] ester, [3-(16-methylheptadecanoyloxy)-2,2-bis(16-methylheptadecanoyloxymethyl)propyl] 16-methylheptadecanoate
Molecular formula chemrof:molecular_formula	C77H148O8
Molecular mass chemrof:molecular_mass	1202.023
Monoisotopic mass chemrof:monoisotopic_mass	1201.117422
SMILES string chemrof:smiles_string	CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(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=62125-22-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.057.640	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID90894450	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9D7IK5483F	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.227.679F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/173849	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1358489	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27272387	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
28e34bb4-465f-418f-80b4-662766c2e6b5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
dea8b15c-3981-4aa0-811f-bd1078ef06f3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
7ecf6a1a-19b7-4e0a-82e1-6306d2506151	Environmental → Air → Indoor	EF 3.1	kg	4
46dc8c49-47d6-4347-a7de-50caedddb4e5	Environmental → Air → Long-term	EF 3.1	kg	0
3cd13e44-ee0c-479a-80ee-d64b2440d84d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
b583aa8a-614d-47c8-8909-e6a60a303465	Environmental → Air → Unknown	EF 3.1	kg	4
046f2a3d-10de-4bc6-b535-74052a59355c	Environmental → Ground → Agricultural	EF 3.1	kg	4
7f721218-4381-4510-a7ae-1d406000d645	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
0382ffb2-dd21-4c87-8148-2f2876d5e6f1	Environmental → Ground → Unknown	EF 3.1	kg	4
2711350e-d0f8-495b-a4ba-217dcdd0e69c	Environmental → Water → Long-term	EF 3.1	kg	0
9cea2b07-829e-4014-9ded-ebb459a1519f	Environmental → Water → Ocean	EF 3.1	kg	2
36c796b0-b3cc-4560-a3ad-4bbbc73cf854	Environmental → Water → Surface water	EF 3.1	kg	4
e2f0d095-d74b-47b4-9c9f-a6bfe1e29bd5	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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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Fatty Acids C16 – 18 ( Even Numbered), C18 Branched Tetra Esters With Pentaerythritol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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