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ChemicalBook--->CAS DataBase List--->131-72-6

131-72-6

131-72-6 Structure

131-72-6 Structure
IdentificationBack Directory
[Name]

DINOCAP
[CAS]

131-72-6
[Synonyms]

SIALITE
4-DNOPC
KARATHAN
KARATHANE
CR1639(R)
MILDEX(R)
2;4-DNOPC
CROTOTHANE
KARATHANE(R)
CROTOTHANE(R)
ISOCOTHANE(R)
Meptyldinocap
Meptyldinocap [iso]
Meptyldinocap Solution
2,6-DINITRO-4-OCTYLPHENYLCROTONATE
Meptyldinocap@100 μg/mL in Methanol
2-METHYLHEPTYL-4,6-DINITROPHENYL CROTONATE
2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL CROTONATE
Meptyldinocap Solution in Acetonitrile, 100μg/mL
(E)-2,4-dinitro-6-(octan-2-yl)phenyl but-2-enoate
Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl
(RS)-2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate
(E)-2-(1-Methylheptyl)-4,6-dinitrophenyl 2-butenoate
2-(1-Methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate
2(OR 4)-ISO-OCTYL-4,6-(OR 2,6)-DINITROPHENYL 2-BUTENOATE
(E)-2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester
2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester, (E)-
2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester, (2E)-
[EINECS(EC#)]

679-522-1
[Molecular Formula]

C18H24N2O6
[MDL Number]

MFCD00054268
[MOL File]

131-72-6.mol
[Molecular Weight]

364.39
Chemical PropertiesBack Directory
[Boiling point ]

473.7±45.0 °C(Predicted)
[density ]

1.175±0.06 g/cm3(Predicted)
[vapor pressure ]

7.5 x 10-5 Pa (25 °C)
[storage temp. ]

0-6°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[Water Solubility ]

<0.1 mg l-1
[color ]

Light yellow to yellow
[LogP]

6.477 (est)
[EPA Substance Registry System]

(E)-2-(1-Methylheptyl)-4,6-dinitrophenyl 2-butenoate (131-72-6)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

61-20/22-38-43-48/22-50/53
[Safety Statements ]

53-36/37-45-60-61
[RIDADR ]

UN 3082 9 / PGIII
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

Dinocap is a contact fungicide which provides both protective and curative activities against powdery mildews, fruit rots, stem rots, leaf spots, brown rots, etc., in a wide range of crops including pome fruits, stone fruits, citrus, vines, hops, ornamentals and berries.
[Definition]

ChEBI: 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate is an enoate ester obtained by formal condensation of the carboxy group of 3-methylacrylic acid with the phenolic hydroxy group of 2,4-dinitro-6-(octan-2-yl)phenol. It is a C-nitro compound and an enoate ester.
[Metabolic pathway]

Dinocap is a mixture 2,4- and 2,6-dinitro isomers of octylphenyl crotonate. Limited data are available in the open literature. Information presented in this summary is abstracted from the data evaluation published by the Pesticide Safety Directorate (PSD). Degradation and metabolism studies were conducted mainly with the 2,4-dinitro isomer. Hydrolytic cleavage of the crotonate to yield the corresponding phenol is the primary pathway in soil, plants and animals. β-Hydroxylation and/or carboxylation of the octyl moiety is a minor pathway in animals (Scheme 1).
[Degradation]

The hydrolytic degradation of dinocap [1,(2,4-dinitro-6-octylphenyl crotonate)] was examined at 25 °C. The estimated DT50 values of [14C-phenyl]dinocap in pH 5, 7 and 9 buffer solution were 229 days, 56 days and 17 hours, respectively. Cleavage of the crotonate moiety yielded 2,4-dinitro-6-octylphenol(2) as the major product.
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