Consensus flow list

Identity

Type
Neutral molecule
CAS
6422-86-2
EC
229-176-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Bis(2-ethylhexyl) Terephthalate

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RWPICVVBGZBXNA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
IUPAC name chemrof:IUPAC_name Bis(2-ethylhexyl) Terephthalate
Molecular formula chemrof:molecular_formula C24H38O4
Molecular mass chemrof:molecular_mass 390.564
Monoisotopic mass chemrof:monoisotopic_mass 390.27701
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1

Known URLs

11

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=6422-86-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.524 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027625 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1871770 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4VS908W98L enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0249244 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J138.316G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=156006 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22932 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5279087 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bis(2-ethylhexyl)_terephthalate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eaf7ff64-295b-42c2-83c9-625b8141db90 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8b88114c-3ff7-4f03-91f5-b38047a8a39a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6b782154-8455-455d-914a-c482729ab780 Environmental → Air → Indoor EF 3.1 kg 2
14a2fc6a-9277-4078-bb8b-093c4befb29c Environmental → Air → Long-term EF 3.1 kg 0
aa267db6-9fe6-4ae0-8012-d620875744a8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f2516eec-4715-419a-8938-73bf72ad2d49 Environmental → Air → Unknown EF 3.1 kg 2
ed854da7-937e-442c-af2e-163b5b8188cb Environmental → Ground → Agricultural EF 3.1 kg 2
dba18e8b-a11f-4002-9d70-51dcb58b0c24 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3824f788-c202-4b63-a00e-c99132cb808a Environmental → Ground → Unknown EF 3.1 kg 2
d416234f-ddc3-4f66-8f9c-e03e21c41224 Environmental → Water → Long-term EF 3.1 kg 0
d758e9d8-66f5-497d-9555-5d9a51ae77a9 Environmental → Water → Ocean EF 3.1 kg 2
cedec64a-0f09-4c22-835a-42bf31687fe7 Environmental → Water → Surface water EF 3.1 kg 2
c832dd8d-98ca-4d24-9b36-988ac5c59850 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": "Palatinol DOTP",
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      "@value": "Terephthalic acid, bis(2-ethylhexyl) ester",
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