3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate

1,3-Propanediol, 2,2-dimethyl-, bis(2-ethylhexanoate)
Hexanoic acid, 2-ethyl-, 1,1′-(2,2-dimethyl-1,3-propanediyl) ester
Hexanoic acid, 2-ethyl-, 2,2-dimethyl-1,3-propanediyl ester
Hexanoic acid, 2-ethyl-, 2,2-dimethyltrimethylene ester
KAK-NDO
Neopentyl glycol bis(2-ethylhexanoate)
Neopentyl glycol diethylhexanoate
Neopentylglycol di-2-ethylhexanoate
Nissan Unister H 208BRS
Pelemol NGDO
Schercemol NGDO
Unister H 208BRS

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GORMSINSWZJIKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C21H40O4/c1-7-11-13-17(9-3)19(22)24-15-21(5,6)16-25-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3
IUPAC name chemrof:IUPAC_name	2-ethylhexanoic acid [3-(2-ethyl-1-oxohexoxy)-2,2-dimethylpropyl] ester, 2-ethylhexanoic acid [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] ester, [3-(2-ethylhexanoyloxy)-2,2-dimethyl-propyl] 2-ethylhexanoate, [3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] 2-ethylhexanoate
Molecular formula chemrof:molecular_formula	C21H40O4
Molecular mass chemrof:molecular_mass	356.547
Monoisotopic mass chemrof:monoisotopic_mass	356.29266
SMILES string chemrof:smiles_string	CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC

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=28510-23-8	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.044.585	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20865431	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U68ZV6W62C	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.728E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/34260	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1307148	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27290744	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9dfbef69-a85b-4044-a418-99adb79ec4cd	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4de95565-bc9c-426e-80ca-8539dd742ae6	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2afc9675-ce01-442c-b69a-4ea62c50e228	Environmental → Air → Indoor	EF 3.1	kg	2
e2939985-bd5d-49da-b1a6-6b9890cf3ccc	Environmental → Air → Long-term	EF 3.1	kg	0
2e2d5a9e-827b-4535-ab1b-4c3bfbfc597b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
150f92f1-a630-4317-ba23-d51e239c6dba	Environmental → Air → Unknown	EF 3.1	kg	2
597b8237-3a33-4c43-8d89-d1b23735567a	Environmental → Ground → Agricultural	EF 3.1	kg	2
cff6a8e0-c966-4182-95e6-9e5f2033eb08	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
66c98bcc-3bd8-4ff2-8f0c-01de49b653b3	Environmental → Ground → Unknown	EF 3.1	kg	2
6413965f-5132-402b-8a43-7d338041eda3	Environmental → Water → Long-term	EF 3.1	kg	0
30f9606f-306c-46f6-8d4c-2e29ff7c5e8a	Environmental → Water → Ocean	EF 3.1	kg	2
e9f2d456-6af1-450d-8741-1fa67a3ab801	Environmental → Water → Surface water	EF 3.1	kg	2
60492744-50bc-43a5-b5c8-88f5dc4a94df	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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}

3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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