Consensus flow list

Tert-butyl 2-ethylperoxyhexanoate

fo-dc6021c5cfa39bb5

Identity

Type
Neutral molecule
CAS
3006-82-4
EC
221-110-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tert-butyl 2-ethylperoxyhexanoate

Alternative labels

30

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WYKYCHHWIJXDAO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
IUPAC name chemrof:IUPAC_name Tert-butyl 2-ethylperoxyhexanoate
Molecular formula chemrof:molecular_formula C12H24O3
Molecular mass chemrof:molecular_mass 216.321
Monoisotopic mass chemrof:monoisotopic_mass 216.172545
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)OOC(C)(C)C

Known URLs

8

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=3006-82-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.192 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0027511 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KGA9W7ZS5I enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.044I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/102924 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3113 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27282239 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
abba75cb-032f-4928-859f-2dcc100549e7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1697ddf4-6481-492a-adb1-8e3c12720ef0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
608cdc4f-6dd2-4a27-bed5-5d0c2a0d7951 Environmental → Air → Indoor EF 3.1 kg 4
0bc62d7e-40ce-47af-8594-d5f6d52e8400 Environmental → Air → Long-term EF 3.1 kg 0
4b4e755d-7bc0-41a8-ad3e-6a712311d201 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7bdafd96-a801-4e5d-aae5-afae94521358 Environmental → Air → Unknown EF 3.1 kg 4
e0b3fbe8-6ca3-4580-b5e8-5975486540c6 Environmental → Ground → Agricultural EF 3.1 kg 4
ae1da442-2a94-4302-a274-d37a2c443598 Environmental → Ground → Non-agricultural EF 3.1 kg 4
59a73958-e653-42b2-aa3d-f3925d884d66 Environmental → Ground → Unknown EF 3.1 kg 4
97ea9b9d-0971-4353-a34d-37e506c8bc53 Environmental → Water → Long-term EF 3.1 kg 0
36dfb97b-fc5e-43f7-822a-41c75018ac26 Environmental → Water → Ocean EF 3.1 kg 4
700e69c9-3f24-4384-ab77-6be4ba9ac049 Environmental → Water → Surface water EF 3.1 kg 4
4d39cc70-7f64-4987-9574-c325a2ec3c21 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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    {
      "@value": "tert-Butyl peroxy-2-ethylhexanoate",
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