Consensus flow list

Ditolyl Ether

fo-4c325765b56ede27

Identity

Type
Neutral molecule
CAS
28299-41-4
EC
248-948-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Ditolyl Ether

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CYXMOAZSOPXQOD-UHFFFAOYSA-N, YWYHGNUFMPSTTR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3, InChI=1S/C14H14O/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10H,1-2H3
IUPAC name chemrof:IUPAC_name 1-methyl-2-(2-methylphenoxy)benzene, 1-methyl-4-(4-methylphenoxy)benzene
Molecular formula chemrof:molecular_formula C14H14O
SMILES string chemrof:smiles_string CC1=CC=C(C=C1)OC2=CC=C(C=C2)C, CC1=CC=CC=C1OC2=CC=CC=C2C

Known URLs

15

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=1579-40-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=28299-41-4 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=4731-34-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.931 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.939 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.483 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10892276 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2061800 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EJS2TP859V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J102.218K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J262.415J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74098 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78462 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72509294 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q81982033 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a6ddef7c-dbd4-4b75-8e8f-0d0e16dfc6fb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
649c4801-8d02-40b6-b4bd-0d2272522eea Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
abc8d30c-c40e-4a30-a72a-50c0db1fb1a0 Environmental → Air → Indoor EF 3.1 kg 4
295ef025-5042-4e36-b027-888b7771df09 Environmental → Air → Long-term EF 3.1 kg 0
83e2bb85-fa72-4783-aebb-5a34efb5ae50 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d15bcfeb-c69c-4ff5-8dee-4a370dbc2c0a Environmental → Air → Unknown EF 3.1 kg 4
8cb71af1-c794-4138-ba5b-55657852c1ba Environmental → Ground → Agricultural EF 3.1 kg 4
c46ab400-eb39-4147-bcac-42d67be1e223 Environmental → Ground → Non-agricultural EF 3.1 kg 4
29d8625d-e740-430c-b734-9b0ba45f05ac Environmental → Ground → Unknown EF 3.1 kg 4
9f6b9c54-49af-4afd-96c0-78ea2c02f1db Environmental → Water → Long-term EF 3.1 kg 0
e6429daf-9883-48f4-b217-f2b616f8c0a4 Environmental → Water → Ocean EF 3.1 kg 4
65abf100-df81-4bb9-836d-0960c0c66ae6 Environmental → Water → Surface water EF 3.1 kg 4
40fec1d3-d012-4cb4-b27d-cf3f8430b59f 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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