Isooctyl (2,4,5-trichlorophenoxy)acetate

(2,4,5-Trichlorophenoxy)acetic acid isooctyl ester
2,4,5-T isooctyl ester
2,4,5-T-Isooctyl
AAnetos L
Acetic acid, (2,4,5-trichlorophenoxy)-, isooctyl ester
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, isooctyl ester
Isooctyl 2,4,5-trichlorophenoxyacetate
Isooctyl alcohol, (2,4,5-trichlorophenoxy)acetate
ORGA-T

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LRDPQMJVRJVAOH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C16H21Cl3O3/c1-11(2)6-4-3-5-7-21-16(20)10-22-15-9-13(18)12(17)8-14(15)19/h8-9,11H,3-7,10H2,1-2H3
IUPAC name chemrof:IUPAC_name	Isooctyl (2,4,5-trichlorophenoxy)acetate
Molecular formula chemrof:molecular_formula	C16H21Cl3O3
Molecular mass chemrof:molecular_mass	367.7
Monoisotopic mass chemrof:monoisotopic_mass	366.055628
SMILES string chemrof:smiles_string	CC(C)CCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl

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=25168-15-4	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.042.440	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40866223	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3138704	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K5K0WAR4MW	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.350F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/518275	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3345	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27281985	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e306a4ee-4b9b-40e5-95e0-616bf060f993	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
9e15af21-17ed-49e2-a670-5ce9aa4b2dfe	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
958d7257-5c53-4d69-8d0f-0ac1533de15e	Environmental → Air → Indoor	EF 3.1	kg	2
30f50494-29c4-4c80-9100-5d68359fd9a7	Environmental → Air → Long-term	EF 3.1	kg	0
4fc11f47-c18e-4ca5-afdc-8036d8865617	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
ca0e0925-651d-4e10-bb62-a1b28038fe48	Environmental → Air → Unknown	EF 3.1	kg	2
55a5d755-aada-4e8d-a892-46347f0b7bcf	Environmental → Ground → Agricultural	EF 3.1	kg	2
64914f29-d7be-44b8-824f-2967afa601fc	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
a61feb08-fb86-4a30-95dd-9ef09096097c	Environmental → Ground → Unknown	EF 3.1	kg	2
226605fb-f2a6-4a64-83a6-94cabaab897a	Environmental → Water → Long-term	EF 3.1	kg	0
2c387fe3-17cb-4d42-a835-37156f90b482	Environmental → Water → Ocean	EF 3.1	kg	2
e8c6805c-ab0f-4d5e-a54d-ffacced0add8	Environmental → Water → Surface water	EF 3.1	kg	2
a4de0069-3ee4-4846-bf3f-546dfcd5c4aa	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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Isooctyl (2,4,5-trichlorophenoxy)acetate

Identity

Structure

Alternative labels

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