ChemicalBook--->CAS DataBase List--->57960-19-7

57960-19-7

57960-19-7 Structure

57960-19-7 Structure
IdentificationBack Directory
[Name]

ACEQUINOCYL
[CAS]

57960-19-7
[Synonyms]

Shuttle
Kanemite
akd-2023
DPX 3792
Ai3-29615
Acequincyl
ACEQUINOCYL
Acequinocyl 50
Acequinocyl [iso]
ACEQUINOCYL STANDARD
acequinocyl (bsi,paiso)
ACEQUINOCYL ISO 9001:2015 REACH
Acequinocyl@100 μg/mL in Acetonitrile
3-Acetoxy-2-dodecyl-1,4-naphthoquinone
3-Acetyloxy-2-dodecyl-1,4-naphthoquinone
1,4-Naphthalenedione-2-(acetyloxy)-3-dodecyl
2-(Acetyloxy)-3-dodecyl-1,4-naphthalenedione
3-Dodecyl-2-hydroxy-1,4-naphthoquinone acetate
1,4-Naphthoquinone, 3-dodecyl-2-hydroxy-, acetate
3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate
[Molecular Formula]

C24H32O4
[MDL Number]

MFCD01938252
[MOL File]

57960-19-7.mol
[Molecular Weight]

384.51
Chemical PropertiesBack Directory
[Melting point ]

59.6°
[Boiling point ]

504.0±50.0 °C(Predicted)
[density ]

1.08
[storage temp. ]

0-6°C
[solubility ]

Chloroform: Slightly Soluble,Methanol: Heated
[form ]

neat
[BRN ]

2016033
[Henry's Law Constant]

1.0×101 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3
[InChIKey]

QDRXWCAVUNHOGA-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=CC=C2)C(=O)C(CCCCCCCCCCCC)=C1OC(C)=O
[LogP]

7.855 (est)
[EPA Substance Registry System]

Acequincyl (57960-19-7)
Safety DataBack Directory
[Hazard Codes ]

N
[Risk Statements ]

50
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[RTECS ]

QJ5375500
[HS Code ]

29153900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
STOT RE 2
STOT SE 1 Inhalation
[Hazardous Substances Data]

57960-19-7(Hazardous Substances Data)
[Toxicity]

LD50 in rats (mg/kg): > 5000 orally, > 2000 dermally; in mice (mg/kg): > 5000 orally. LC50 (96hr) in carp, rainbow trout (mg/l): > 96.5, > 33 (Wakasa)
Hazard InformationBack Directory
[Description]

Acequinocyl is an acaricide. It is not very soluble in water but is highly soluble in most organic solvents. It is volatile. It is not expected to leach to groundwater. It is not mobile and tends not to be persistence in soil or aquatic systems. It has a low mammalian toxicity and there is some concern regarding its potential for bioaccumulation. Acequinocyl is moderately toxic to birds, fish, honeybees and earthworms and highly toxic to aquatic invertebrates.
[Uses]

Acaricide.
[Definition]

ChEBI: An acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively.
[Production Methods]

Acequinocyl is synthesised through organic chemical reactions involving naphthoquinone derivatives and long-chain alkyl groups. The final step typically involves esterification to form the acetate.
[Mechanism of action]

Mainly contact action but some via ingestion. Mitochondrial complex III electron transport inhibitor - at Qo site.
[storage]

Store at -20°C
[Pesticide Type]

Acaricide; Insecticide
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