Ioxynil octanoate

Ioxynil octanoate
Names
	IUPAC name 4-cyano-2,6-diiodophenyl octanoate
	Other names ioxynil-octanoate; ioxinil oktansyraester (Swedish);
Identifiers
CAS Number	3861-47-0;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:81928;
ChEMBL	ChEMBL2272565;
ChemSpider	18586;
ECHA InfoCard	100.021.252
EC Number	223-375-4;
KEGG	C18740;
PubChem CID	19730;
UNII	75K1F1JBKR;
CompTox Dashboard (EPA)	DTXSID8042054 ;
	InChI InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3 Key: QBEXFUOWUYCXNI-UHFFFAOYSA-N;
	SMILES CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I;
Properties
Chemical formula	C15H17I2NO2
Molar mass	497.115 g·mol−1
Appearance	Fine white powder
Density	1.81 t/m3
Melting point	56.6 °C (133.9 °F; 329.8 K)
Boiling point	decomposes at 240°C
Solubility in water	0.03 mg/L
Solubility in acetone	1000 g/L
Solubility in ethyl acetate	1000 g/L
Solubility in methanol	111.8 g/L
Solubility in xylene	1000 g/L
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H301+H311, H317, H319, H361, H410
Precautionary statements	P201, P261, P264, P273, P280, P301+P310+P330, P302, P313, P333+P313, P391
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	oral (rat) 190 mg/kg
LC50 (median concentration)	inhalation (rat) >2,400 mg/m3
Related compounds
Related compounds	Ioxynil; Ioxynil lithium; Ioxynil sodium; Bromoxynil, chloroxynil (and their variants);
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Ioxynil octanoate is a common chemical variant of the nitrile herbicide ioxynil, also called "ioxynil phenol". See ioxynil for information on ioxynil generally.

They have similar properties, and ioxynil octanoate is often sold labelled as "ioxynil, present as octanoate",^[3]^[4] and often as an emulsifiable concentrate to be diluted in water before spraying. The octanoate can be synthesised by esterifying ioxynil with octanoic acid.^[1]

Ioxynil octanoate is used in Australia. Its HRAC group is Group C (Australia), Group C3, (Global) and Group 6 (numeric).^[1]

Ioxynil was patented in 1963 and commercialised in 1966.^[1]

Tradenames

Ioxynil octanoate has been sold as: Briotril, Oxytril, Stellox, Actril, Totril (Bayer) and Unynuox (AgNova).^[1]^[3]^[4]

References

1 2 3 4 5 6 7 8 9 10 11 12 13 14 Lewis, K.A., Tzilivakis, J., Warner, D. and Green, A. (2016) An international database for pesticide risk assessments and management. Human and Ecological Risk Assessment: An International Journal, 22(4), 1050-1064. DOI: 10.1080/10807039.2015.1133242
↑ "SAFETY DATA SHEET". sigmaaldrich.com. Supelco. Retrieved 13 January 2026.
1 2 "Unyunox 250 EC" (PDF). Retrieved 13 January 2026.
1 2 "Totril Label" (PDF). Retrieved 13 January 2026.

External links

Ioxynil octanoate in the Pesticide Properties DataBase (PPDB)

[database-1] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 Lewis, K.A., Tzilivakis, J., Warner, D. and Green, A. (2016) An international database for pesticide risk assessments and management. Human and Ecological Risk Assessment: An International Journal, 22(4), 1050-1064. DOI: 10.1080/10807039.2015.1133242

[2] "SAFETY DATA SHEET". sigmaaldrich.com. Supelco. Retrieved 13 January 2026.

[unyunox-3] 1 2 "Unyunox 250 EC" (PDF). Retrieved 13 January 2026.

[totril_label-4] 1 2 "Totril Label" (PDF). Retrieved 13 January 2026.

[1]

[2]

[3]

[4]

Names

IUPAC name 4-cyano-2,6-diiodophenyl octanoate
Other names ioxynil-octanoate ioxinil oktansyraester (Swedish)
Identifiers
CAS Number	3861-47-0^[1]
3D model (JSmol)	Interactive image
ChEBI	CHEBI:81928
ChEMBL	ChEMBL2272565
ChemSpider	18586
ECHA InfoCard	100.021.252
EC Number	223-375-4
KEGG	C18740
PubChem CID	19730
UNII	75K1F1JBKR
CompTox Dashboard (EPA)	DTXSID8042054
InChI InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3 Key: QBEXFUOWUYCXNI-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I
Properties
Chemical formula	C₁₅H₁₇I₂NO₂
Molar mass	497.115 g·mol⁻¹
Appearance	Fine white powder^[1]
Density	1.81 t/m³^[1]
Melting point	56.6 °C (133.9 °F; 329.8 K) ^[1]
Boiling point	decomposes at 240°C ^[1]
Solubility in water	0.03 mg/L^[1]
Solubility in acetone	1000 g/L^[1]
Solubility in ethyl acetate	1000 g/L^[1]
Solubility in methanol	111.8 g/L^[1]
Solubility in xylene	1000 g/L^[1]
Hazards
GHS labelling:^[2]
Pictograms
Signal word	Danger
Hazard statements	H301+H311, H317, H319, H361, H410
Precautionary statements	P201, P261, P264, P273, P280, P301+P310+P330, P302, P313, P333+P313, P391
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	oral (rat) 190 mg/kg
LC₅₀ (median concentration)	inhalation (rat) >2,400 mg/m3
Related compounds
Related compounds	Ioxynil Ioxynil lithium Ioxynil sodium Bromoxynil, chloroxynil (and their variants)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references