Consensus flow list

Identity

Type
Molecular complex
CAS
25155-23-1
EC
246-677-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trixylyl Phosphate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KOWVWXQNQNCRRS-UHFFFAOYSA-N, ZYVMOABEWBOSLY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/3C8H10O.H3O4P/c3*1-6-4-3-5-8(9)7(6)2;1-5(2,3)4/h3*3-5,9H,1-2H3;(H3,1,2,3,4), InChI=1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
IUPAC name chemrof:IUPAC_name phosphoric acid tris(2,4-dimethylphenyl) ester, phosphoric acid;tris(2,3-xylenol), tris(2,3-dimethylphenol);phosphoric acid, tris(2,4-dimethylphenyl) phosphate
Molecular formula chemrof:molecular_formula C24H27O4P, C24H33O7P
SMILES string chemrof:smiles_string CC1=C(C(=CC=C1)O)C.CC1=C(C(=CC=C1)O)C.CC1=C(C(=CC=C1)O)C.OP(=O)(O)O, CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C

Known URLs

12

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=25155-23-1 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3862-12-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.419 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.181.429 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80959466 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=78488 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5TL8H5QK8V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J173.955G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/122197630 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19736 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q98425917 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9a1798ee-e79d-4e59-a2a4-4c77158dc7e0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
04fa2fbd-5989-41d1-b021-925e154d5278 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a3e4a5ca-a388-4a25-8099-582d522785d6 Environmental → Air → Indoor EF 3.1 kg 2
7efc5bdd-1e60-49e5-8646-df404438fd2d Environmental → Air → Long-term EF 3.1 kg 0
7742f875-b8c0-4ef3-ba59-4b69390a25fd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
aeea31c0-cf54-49d5-887c-f3a3def6965d Environmental → Air → Unknown EF 3.1 kg 2
04c57ede-8e39-422c-b5ae-14a943e57aaf Environmental → Ground → Agricultural EF 3.1 kg 2
50d2c807-7582-4b36-8a4c-9dada4adf678 Environmental → Ground → Non-agricultural EF 3.1 kg 2
468f3fc2-ba6a-4be5-b2c1-20f9de080695 Environmental → Ground → Unknown EF 3.1 kg 2
fdd1fbec-f1d0-4c59-9786-7b0877d05116 Environmental → Water → Long-term EF 3.1 kg 0
2e0c0704-d751-4b10-9b97-fa259d8ad488 Environmental → Water → Ocean EF 3.1 kg 2
ed3430de-61de-4266-b4ae-d103dc28ca31 Environmental → Water → Surface water EF 3.1 kg 2
565b9907-7504-4834-8478-9bc2ee6f8c9d 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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