Dinoseb Acetate

2,4-Dinitro-6-sec-butylphenyl acetate
2-(1-Methylpropyl)-4,6-dinitrophenyl acetate
2-sec-Butyl-4,6-dinitrophenyl acetate
4,6-Dinitro-2-sec-butyl-phenolacetate
4,6-Dinitro-2-sec-butylphenyl acetate
Aretit
Ivosit
Phenol, 2-(1-methylpropyl)-4,6-dinitro-, 1-acetate
Phenol, 2-(1-methylpropyl)-4,6-dinitro-, acetate (ester)
Phenol, 2-sec-butyl-4,6-dinitro-, acetate
Phenol, 2-sec-butyl-4,6-dinitro-, acetate (ester)

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	RDJTWDKSYLLHRW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name	2,4-Dinitro-6-sec-butylphenyl acetate
Molecular formula chemrof:molecular_formula	C12H14N2O6
Molecular mass chemrof:molecular_mass	282.252
Monoisotopic mass chemrof:monoisotopic_mass	282.085186, 282.08519
SMILES string chemrof:smiles_string	CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O

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=2813-95-8	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82240	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.018.691	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0882	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3074816	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1591909	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4K44988W0H	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0032560	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.416D	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C19119	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C19119	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45605	enrich_references.pubchem_identifier_url
ppdb	ppdb:2762	enrich_references.chebi_xrefs
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/17776	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3014	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q13573069	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b48642b2-e0e9-4b5b-9341-64c25d6d104f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
17eac169-8295-4004-8cc7-fae35938585c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b7ba4bde-3d68-4256-92e9-6126cdd76cd0	Environmental → Air → Indoor	EF 3.1	kg	2
73409415-3647-4f10-a729-c0fb51b07e6b	Environmental → Air → Long-term	EF 3.1	kg	0
85e1a613-3122-438c-bbc2-4e521dde2181	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
28f1f4fb-1d1d-4498-9800-0f509f7edde0	Environmental → Air → Unknown	EF 3.1	kg	2
f7ac12c8-7eaa-449d-bf0b-e7adfc52e961	Environmental → Ground → Agricultural	EF 3.1	kg	2
78b2d482-2c21-41fd-8914-5865d078b2b7	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
e38e6796c72b122a587c1fa999d3404aaf75f893	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
f8fa560e-0a4c-4792-9a87-b1a99547e10a	Environmental → Ground → Unknown	EF 3.1	kg	2
4cb3725f-fccd-4586-b930-2cdbf5a53c04	Environmental → Water → Long-term	EF 3.1	kg	0
bf0262d2-a4f2-4b56-859c-4844ce8045a9	Environmental → Water → Ocean	EF 3.1	kg	2
8d9c335b-364d-441a-93b9-88a9f5539ab0	Environmental → Water → Surface water	EF 3.1	kg	2
18e29e2c-fe19-4a2c-801a-dce6b706c003	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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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Dinoseb Acetate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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