3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane

Carbonoperoxoic acid, OO-(1,1-dimethylpropyl) O-(2-ethylhexyl) ester
Esperox C 59
Luperox MC
Luperox TAEC
Lupersol TAEC
O,O-tert-Amyl O-2-ethylhexyl monoperoxycarbonate
Tert-Amyl peroxy 2-ethylhexyl carbonate
tert-Pentylperoxy 2-ethylhexyl monocarbonate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	HTCRKQHJUYBQTK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H28O4/c1-6-9-10-12(7-2)11-16-13(15)17-18-14(4,5)8-3/h12H,6-11H2,1-5H3
IUPAC name chemrof:IUPAC_name	1,1-dimethylpropoxy 2-ethylhexyl carbonate, 2-ethylhexyl 2-methylbutan-2-yloxy carbonate, carbonic acid 2-ethylhexyl 2-methylbutan-2-yloxy ester, carbonic acid tert-amyloxy 2-ethylhexyl ester
Molecular formula chemrof:molecular_formula	C14H28O4
Molecular mass chemrof:molecular_mass	260.374
Monoisotopic mass chemrof:monoisotopic_mass	260.198759
SMILES string chemrof:smiles_string	CCCCC(CC)COC(=O)OOC(C)(C)CC

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=70833-40-8	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.068.087	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40867952	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JSM59Z1B9V	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J288.638C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/116706	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27281675	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c731598c-9710-455a-87f5-5eabc9ab72a2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
7d07eab9-650a-4f9c-8eed-95c41fe865e6	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
ec1eb0eb-e9f9-4980-bcb5-717f26241773	Environmental → Air → Indoor	EF 3.1	kg	4
16006786-9c9a-4486-a894-02b900aa2cd2	Environmental → Air → Long-term	EF 3.1	kg	0
9fdf98c3-d911-45ce-85df-88c47a5bdf29	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
50fa94cf-3d24-4d91-8cce-ff9cde2d1c7e	Environmental → Air → Unknown	EF 3.1	kg	4
dd0c60c8-d73b-455e-9ac4-38ecc52313bf	Environmental → Ground → Agricultural	EF 3.1	kg	4
ac5b3d5f-fd13-4544-972c-4a622291add8	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3266932f-1c5e-43f6-93ec-8207f393c3a0	Environmental → Ground → Unknown	EF 3.1	kg	4
204da75c-fb76-483c-a794-7af5c48ba901	Environmental → Water → Long-term	EF 3.1	kg	0
8f04e5df-2162-4202-8ac3-541c6fdca5db	Environmental → Water → Ocean	EF 3.1	kg	4
fe5207df-01ae-4342-8f1f-11b50eb5d84c	Environmental → Water → Surface water	EF 3.1	kg	4
10858833-39b3-43c4-867c-c628c357aa3d	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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3-[({[(2-methylbutan-2yl)peroxy]carbonyl}oxy)methyl]heptane

Identity

Structure

Alternative labels

Properties

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