57960-19-7
Product Name:
ACEQUINOCYL
Formula:
C24H32O4
Synonyms:
2-(Acetyloxy)-3-dodecyl-1,4-naphthalenedione;3-Acetoxy-2-dodecyl-1,4-naphthoquinone;3-Dodecyl-1,4-dihydro-1,4-dioxo-2-naphthyl acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellowish solid; [Merck Index] |
|---|---|
| Color/Form | Pale yellowish flake |
| Odor | Faintly earthy |
| Melting Point | 59.6 °C |
| Solubility | In water, 6.69X10-3 mg/L at 20 °C |
| Density | 1.15 at 25 °C |
| Vapor Pressure | 0.00000001 [mmHg] |
| LogP | log Kow = 6.2 |
| Henry's Law Constant | Henry's Law constant = 9.7X10-7 atm-cu m/mol at 25 °C /Estimated/ |
| Stability/Shelf Life | Hydrolysis DT50 19 days (pH 1.2, 37 °C), 86 days (pH 4, 25 °C), 52 hr (pH 7, 25 °C), 76 min (pH 9, 25 °C). Aqueous photolysis DT50 (pH 5) 6 days. |
| Viscosity | 405.95 cS at 20 °C; 217.23 cS at 40 °C /End-use product/ |
| Corrosivity | Non-corrosive /End-use product/ |
| pH | pH = 6.94 |
| Collision Cross Section | 208.51 Ų [M-H]- |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 2.6X10-10 cu cm/molecule-sec at 25 °C /Estimated/ |
| Chemical Classes | Pesticides -> Other Insecticides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H370:Specific target organ toxicity, single exposure H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 384.5 g/mol |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Exact Mass | 384.23005950 g/mol |
| Monoisotopic Mass | 384.23005950 g/mol |
| Topological Polar Surface Area | 60.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 575 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Acequinocyl is an acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an acaricide. It is an acetate ester and a member of 1,4-naphthoquinones.