Consensus flow list

4,4'-({5-[3-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylbenzyl]-2,4,6-trimethylbenzene-1,3-diyl}dimethanediyl)bis(2,6-di-tert-butylphenol)/n

fo-00e618d8b50fa6ee

Identity

Type
Neutral molecule
CAS
1709-70-2
EC
216-971-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,4'-({5-[3-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylbenzyl]-2,4,6-trimethylbenzene-1,3-diyl}dimethanediyl)bis(2,6-di-tert-butylphenol)/n

Alternative labels

27

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VSAWBBYYMBQKIK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C54H78O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h25-30,55-57H,22-24H2,1-21H3
IUPAC name chemrof:IUPAC_name 1,3,5-Trimethyl-2,4,6-tri(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
Molecular formula chemrof:molecular_formula C54H78O3
Molecular mass chemrof:molecular_mass 775.215
Monoisotopic mass chemrof:monoisotopic_mass 774.595096
SMILES string chemrof:smiles_string Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

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=1709-70-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.428 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6027428 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=85846 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/51DM34B894 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.057E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74370 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=125834 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27260892 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0d44cff7-98cb-47c6-90ed-9d5eb500a732 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
644b6e62-5b2f-40eb-a15e-7c947a68e911 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2fb38703-9adb-4302-b738-62aaa7a55859 Environmental → Air → Indoor EF 3.1 kg 2
86cc3615-1bfe-46ac-be5e-fd6423a8156e Environmental → Air → Long-term EF 3.1 kg 0
a629b574-1ed8-47a1-9c4f-c29dc85d11d8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0bb7d25b-7fd3-47e9-9132-28c9a350ed54 Environmental → Air → Unknown EF 3.1 kg 2
6d2ac2d3-7eaa-4844-87b3-0d67546180d4 Environmental → Ground → Agricultural EF 3.1 kg 2
d0d437f4-6465-49c9-aecf-882428d344e6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
84aedfca-5404-443d-b8a1-2c65a7198476 Environmental → Ground → Unknown EF 3.1 kg 2
a4a5cc70-26e6-49ae-bfa6-193fd3ff61a6 Environmental → Water → Long-term EF 3.1 kg 0
66e30d99-273d-4ce3-b6b2-d61ac69a75a0 Environmental → Water → Ocean EF 3.1 kg 2
cd8c3c25-1ec7-4b10-ac18-2915d733f904 Environmental → Water → Surface water EF 3.1 kg 2
b632c1a2-ec6e-493b-ad46-4ac21c7c0f5b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "ADK Stab A 330",
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      "@value": "Antioxidant 40",
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      "@value": "Good-rite 1330",
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    },
    {
      "@value": "p-Cresol, α,α′,α′′-(2,4,6-trimethyl-s-phenenyl)tris[2,6-di-tert-butyl-",
      "@language": "en",
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    },
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      "@value": "Phenol, 4,4′,4′′-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methylene)]tris[2,6-bis(1,1-dimethylethyl)-",
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