Brightway Flows 1.0
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Identity

Type
Neutral molecule
CAS
27676-62-6
EC
248-597-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione

Alternative labels

28

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VNQNXQYZMPJLQX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3
IUPAC name chemrof:IUPAC_name 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
Molecular formula chemrof:molecular_formula C48H69N3O6
Molecular mass chemrof:molecular_mass 784.095
Monoisotopic mass chemrof:monoisotopic_mass 783.518637
SMILES string chemrof:smiles_string CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2=O)cc(C(C)(C)C)c1O

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=27676-62-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.165 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0027935 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/680V3MP8YT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J52.299F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93115 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27264187 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tris(3,5-di-tert-butyl-4-hydroxybenzyl)_isocyanurate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e78fd8b2-aac7-4dba-86d2-f05f63e8bba4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
475336fb-bcad-4f6a-9b4d-d73ef96ce1a2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e3b2193a-e868-470f-acde-8fa7aa403622 Environmental → Air → Indoor EF 3.1 kg 4
e68119c8-5ace-4db6-92d3-5d9dc48945bf Environmental → Air → Long-term EF 3.1 kg 0
7a03f1d6-b096-4dd0-945b-d3a9cf1f020d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a9a61973-0f11-4247-b756-bedb91427ed5 Environmental → Air → Unknown EF 3.1 kg 4
73699bfe-be3d-4fc7-bd89-d91a01ebc9bb Environmental → Ground → Agricultural EF 3.1 kg 4
d8e8f593-f757-4467-bdd6-d9e7e1fca65f Environmental → Ground → Non-agricultural EF 3.1 kg 4
88964c71-2dfc-4c74-85e8-0425f32b9caa Environmental → Ground → Unknown EF 3.1 kg 4
7a42f948-7d3d-4bd7-b278-f63494f4b917 Environmental → Water → Long-term EF 3.1 kg 0
367fdc5a-f48f-4a85-8a7f-031514548d86 Environmental → Water → Ocean EF 3.1 kg 4
bcb9c70d-96c1-4571-a38e-31fae46e9f31 Environmental → Water → Surface water EF 3.1 kg 4
aa768ec6-6d35-4f20-a35a-12025c7e8982 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-",
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      "@value": "Tris(3,5-di-tert-butyl-4-hydroxybenzyl) isocyanurate",
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      "@value": "Vanox GT",
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}

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