Tetra-esterification Products Of Nc5, C7, C8, C10 Fatty Acids With Pentaerythritol

Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ZIRMEZKEFPNOEV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H20O2.C8H16O2.C7H14O2.C5H12O4.C5H10O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9;1-2-3-4-5(6)7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9);6-9H,1-4H2;2-4H2,1H3,(H,6,7)
IUPAC name chemrof:IUPAC_name	2,2-bis(hydroxymethyl)propane-1,3-diol;decanoic acid;heptanoic acid;octanoic acid;pentanoic acid, capric acid;caprylic acid;2,2-dimethylolpropane-1,3-diol;enanthic acid;valeric acid
Molecular formula chemrof:molecular_formula	C35H72O12
Molecular mass chemrof:molecular_mass	684.949
Monoisotopic mass chemrof:monoisotopic_mass	684.502378
SMILES string chemrof:smiles_string	CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)CO)O

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=71010-76-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.068.268	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/172700	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
719e98e7-9098-4e36-b4ee-09444106dd91	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
6937235b-98b2-46f9-aee5-bac962bc688c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
48fee8a2-f194-43e8-b6d9-6f555f6b2258	Environmental → Air → Indoor	EF 3.1	kg	4
59488b9e-4e43-44f3-8ff8-331eda29e75e	Environmental → Air → Long-term	EF 3.1	kg	0
aa2e2756-7474-4be6-a327-96f18012b9b5	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
a16ccc45-8cdd-49b2-8257-a6d9a11d4dfc	Environmental → Air → Unknown	EF 3.1	kg	4
304abbe9-b6a7-4766-a914-fe52ff439b4a	Environmental → Ground → Agricultural	EF 3.1	kg	4
8e5d02ec-6157-48d2-9900-a1395c1b4755	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
cd80b534-105d-46bf-86a6-dc47a3fa27dd	Environmental → Ground → Unknown	EF 3.1	kg	4
2ce9080c-c58d-428b-8f35-355930d0b489	Environmental → Water → Long-term	EF 3.1	kg	0
154aae47-782e-49ed-9625-8380fe3b4597	Environmental → Water → Ocean	EF 3.1	kg	4
c229aae8-6cd6-44bc-a6e7-70aa05fc7a6b	Environmental → Water → Surface water	EF 3.1	kg	4
2f72c823-e544-4088-b341-f35f2cad287a	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

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Flow object JSON

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Tetra-esterification Products Of Nc5, C7, C8, C10 Fatty Acids With Pentaerythritol

Identity

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Alternative labels

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