Consensus flow list

Identity

Type
Neutral molecule
CAS
40601-76-1
EC
254-996-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) Isocyanurate

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XYXJKPCGSGVSBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
IUPAC name chemrof:IUPAC_name 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Molecular formula chemrof:molecular_formula C42H57N3O6
Molecular mass chemrof:molecular_mass 699.933
Monoisotopic mass chemrof:monoisotopic_mass 699.424737
SMILES string chemrof:smiles_string Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O

Known URLs

9

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=40601-76-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.980 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8028008 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184256 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/253H13NWCQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.951J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93221 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27253902 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,3,5-Tris(4-(tert-butyl)-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
996e51ad-fdd3-491e-aae0-be1149d0aa42 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d740337e-b20e-4670-b300-0352440c1aa4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f85eaaa1-ed06-4afe-972d-ddf28244fdb9 Environmental → Air → Indoor EF 3.1 kg 2
3716e0ce-6a22-41bb-bc3a-1b8780515732 Environmental → Air → Long-term EF 3.1 kg 0
623bbaad-1f16-42a8-b477-c1a4a4df5a98 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
abf127dc-d2c4-420d-b2bd-373350723c39 Environmental → Air → Unknown EF 3.1 kg 2
a187d436-a1fa-4b26-907b-bf3214256122 Environmental → Ground → Agricultural EF 3.1 kg 2
db93b399-2810-4b46-9b1e-5578b23241cf Environmental → Ground → Non-agricultural EF 3.1 kg 2
179fe44f-ec84-49b0-bda3-29dcd84a3814 Environmental → Ground → Unknown EF 3.1 kg 2
e5fef6f7-39f3-4428-a9fd-fd595f8c24b3 Environmental → Water → Long-term EF 3.1 kg 0
f10f9c45-6741-46b1-8ea7-da17bbb4d016 Environmental → Water → Ocean EF 3.1 kg 2
bade4821-f99d-4963-aeca-68a46954b684 Environmental → Water → Surface water EF 3.1 kg 2
08fa341a-050d-46b5-a810-edf6180c108d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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    },
    {
      "@value": "ADK-ARKLS DH 48",
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    },
    {
      "@value": "Antioxidant CY",
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      "@value": "Cyanox CY 1790",
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    {
      "@value": "Tris(3-hydroxy-4-tert-butyl-2,6-dimethylbenzyl) isocyanurate",
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