Consensus flow list

(1-methylethylidene)di-4,1-phenylenetetraphenyl Diphosphate

fo-c43c13e19e8f9b0a

Identity

Type
NeutralMolecule
CAS
5945-33-5
EC
425-220-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (1-methylethylidene)di-4,1-phenylenetetraphenyl Diphosphate

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BQPNUOYXSVUVMY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3
IUPAC name chemrof:IUPAC_name [4-[1-(4-diphenoxyphosphoryloxyphenyl)-1-methyl-ethyl]phenyl] diphenyl phosphate, [4-[2-(4-diphenoxyphosphoryloxyphenyl)propan-2-yl]phenyl] diphenyl phosphate, phosphoric acid [4-[1-(4-diphenoxyphosphoryloxyphenyl)-1-methyl-ethyl]phenyl] diphenyl ester, phosphoric acid [4-[2-(4-diphenoxyphosphoryloxyphenyl)propan-2-yl]phenyl] diphenyl ester
Molecular formula chemrof:molecular_formula C39H34O8P2
Molecular mass chemrof:molecular_mass 692.641
Monoisotopic mass chemrof:monoisotopic_mass 692.172891
SMILES string chemrof:smiles_string CC(C)(C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

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=5945-33-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.123.794 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8052720 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247001 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J831.763A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9874825 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72446723 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bisphenol-A_bis(diphenyl_phosphate) enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
04883637-c4c3-4dea-8176-898bb24f25ca Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4139f6d5-d752-4aa7-92e0-c4efcb8e99ce Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
469604a1-5e54-46c1-98de-8b6e699541c9 Environmental → Air → Indoor EF 3.1 kg 4
f89e0362-0699-4f6d-b4f0-04446b2d1701 Environmental → Air → Long-term EF 3.1 kg 0
7b22524b-7e66-45b0-8dba-135722b2c7cd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
431657af-8f4d-4aaf-b8ad-097eb697b628 Environmental → Air → Unknown EF 3.1 kg 4
a64018e2-b759-430d-9249-00733ad12eac Environmental → Ground → Agricultural EF 3.1 kg 4
71e95e49-fab9-4e58-95ad-b032439704b5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b5899ab0-8301-4b95-b165-781695d83c26 Environmental → Ground → Unknown EF 3.1 kg 4
c2e81834-bbfe-4070-a2b4-6f137d44312f Environmental → Water → Long-term EF 3.1 kg 0
77f78f48-7d39-420f-b1a5-9da023405526 Environmental → Water → Ocean EF 3.1 kg 4
12d8ba59-37a3-4399-8436-96ef4e1f318e Environmental → Water → Surface water EF 3.1 kg 4
d94a6922-c8df-4ea3-be4e-bea2119fb755 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": "Bisphenol A tetraphenyl diphosphate",
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      "@value": "Tetraphenyl bisphenol A bisphosphate",
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