Consensus flow list

Identity

Type
Neutral molecule
CAS
26741-53-7
EC
247-952-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Alternative labels

30

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AIBRSVLEQRWAEG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3
IUPAC name chemrof:IUPAC_name 3,9-bis(2,4-ditert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Molecular formula chemrof:molecular_formula C33H50O6P2
Molecular mass chemrof:molecular_mass 604.705
Monoisotopic mass chemrof:monoisotopic_mass 604.308263
SMILES string chemrof:smiles_string CC(C)(C)C1=CC(=C(C=C1)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C(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=26741-53-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.578 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2027911 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GV29P0K7AC enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.898J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93101 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27279296 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bis(2,4-di-tert-butylphenyl)_pentaerythritol_diphosphite enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b7879ef8-45f5-4101-b5e6-ba932832ab19 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a1de430b-5ece-44a0-bb9a-a66b64e6d5e7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1b7ba0ee-2bc2-4b8b-9b69-fd0ae5c8c0b7 Environmental → Air → Indoor EF 3.1 kg 4
c61748bf-b130-4671-aadc-3ffc249807c6 Environmental → Air → Long-term EF 3.1 kg 0
24f45c25-6b36-4031-adef-517a770d40c5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6231e363-3a48-4c47-9d12-35e7ea98589c Environmental → Air → Unknown EF 3.1 kg 4
a7cfcd9e-fa87-4ea5-9b42-3c4b2e92d111 Environmental → Ground → Agricultural EF 3.1 kg 4
7f5fc39a-a9ce-418a-b4a1-1f22f59f4cd6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
24b824db-dc15-41a7-9fa9-aa8cb68cfa99 Environmental → Ground → Unknown EF 3.1 kg 4
8df9d385-6da6-4b90-81dc-4874c5a12c35 Environmental → Water → Long-term EF 3.1 kg 0
7a9ecd74-7778-4c6b-9b07-3202757a7c7d Environmental → Water → Ocean EF 3.1 kg 4
f8eec789-5d24-438c-af99-0d3b3de0d27e Environmental → Water → Surface water EF 3.1 kg 4
f145f9a6-7191-47eb-a142-6fca1ec776e9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
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      "@value": "Di(2,4-di-tert-butylphenyl)pentaerythritol diphosphite",
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      "@value": "Mark PEP 24",
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      "@value": "Phenol, 2,4-di-tert-butyl-, dihydrogen phosphite cyclic neopentanetetrayl ester",
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      "@value": "Phosphorous acid, cyclic neopentanetetrayl bis(2,4-di-tert-butylphenyl) ester",
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      "@value": "Songnox 6260FF",
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