ChemicalBook--->CAS DataBase List--->87130-20-9

87130-20-9

87130-20-9 Structure

87130-20-9 Structure
IdentificationMore
[Name]

Diethofencarb
[CAS]

87130-20-9
[Synonyms]

DIETHOFENCARB
(3,4-diethoxyphenyl)-carbamicaci1-methylethylester
1-methylethyl(3,4-diethoxyphenyl)carbamate
Biethofencarb
isopropyl3,4-diethoxycarbanilate
isopropyl3,4-diethoxyphenylcarbamate
Isopropyl3,4-diethyloxycarbamate
powmylwp
s-1605
s-165
s32165
Diethofencarb PESTANAL
diethofencarb (bsi,iso)
Propan-2-yl N-(3,4-diethoxyphenyl)carbamate
Isopropyl N-(3,4-diethoxyphenyl)carbamate
3,4-Diethoxyphenylcarbamic acid isopropyl ester
N-(3,4-Diethoxyphenyl)carbamic acid isopropyl ester
[EINECS(EC#)]

403-870-3
[Molecular Formula]

C14H21NO4
[MDL Number]

MFCD00274591
[Molecular Weight]

267.32
[MOL File]

87130-20-9.mol
Chemical PropertiesBack Directory
[Melting point ]

101.3°
[Boiling point ]

325.9±32.0 °C(Predicted)
[density ]

1.098±0.06 g/cm3(Predicted)
[vapor pressure ]

8.4 x 10-3 Pa (20 °C)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

neat
[pka]

12.75±0.70(Predicted)
[Water Solubility ]

26.6 mg l-1 (20 °C)
[color ]

Pale Pink to Light Pink
[Henry's Law Constant]

1.2×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
[InChIKey]

LNJNFVJKDJYTEU-UHFFFAOYSA-N
[SMILES]

C(OC(C)C)(=O)NC1=CC=C(OCC)C(OCC)=C1
[LogP]

2.910
[CAS DataBase Reference]

87130-20-9(CAS DataBase Reference)
[EPA Substance Registry System]

Carbamic acid, N-(3,4-diethoxyphenyl)-, 1-methylethyl ester (87130-20-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

EZ4215700
[REACH Registrations]

Inactive
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
[Toxicity]

LD50 in male and female rats (mg/kg): >5000, >5000 orally; >5000, >5000 dermally; LC50 (48 hrs) in carp: 13.5 mg/l; (3 hrs) in Daphnia pulex: >10 mg/l (Fujimura, review)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

DIETHOFENCARB
Hazard InformationBack Directory
[Hazard]

Low toxicity by ingestion, inhalation, and skin contact.
[Description]

Diethofencarb is a carbamate fungicide. It has a moderate aqueous solubility and is volatile. Based on its chemical properties, it is not expected to leach to groundwater. It is not persistent in soils but can be in water in some circumstances. It has a low mammalian toxicity. However, exposure may damage reproduction and/or development. Diethofencarb is also a recognised irritant. It is moderately toxic to most aquatic organisms, honeybees and earthworms.
[Uses]

Agricultural fungicide.
[Uses]

Diethofenacarb is a pesticide used on crops. It is a fungicide commonly used in China.
[Uses]

Diethofencarb is a systemic carbamate fungicide with both protective and curative activities used for the control especially of benzimidazole-resistant strains of fungi, including Botrytis spp., Cercosporu spp. and Venturia spp. It is almost ineffective against benzimidazole- susceptible strains. It is used on vines, cucurbits, tomatoes, citrus, vegetables and other crops.
[Definition]

ChEBI: A carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp.
[Production Methods]

Diethofencarb is commercially produced through the synthesis of its active compound, isopropyl 3,4-diethoxycarbanilate. The process typically involves the reaction of 3,4-diethoxyaniline with isopropyl chloroformate in the presence of a base such as triethylamine, which facilitates the formation of the carbamate linkage. This reaction is carried out in an organic solvent under controlled temperature and pH conditions to ensure high yield and purity.
[Mechanism of action]

Systemic with protective and curative action. Inhibition of mitosis and cell division (Beta-tubulin assembly in mitosis).
[Metabolic pathway]

In aerobic upland soils under laboratory conditions, the half-life of 14C-diethofencarb is 0.3-6.2 days and the major metabolite is a nitrated derivative at the 6-position of the phenyl ring. Diethofencarb slowly degrades under anaerobic upland conditions and hardly degrades in sterilized soils.
[Pesticide Type]

Fungicide
Spectrum DetailBack Directory
[Spectrum Detail]

Diethofencarb(87130-20-9)MS
Diethofencarb(87130-20-9)1HNMR
Diethofencarb(87130-20-9)13CNMR
Diethofencarb(87130-20-9)IR1
Diethofencarb(87130-20-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

87130-20-9(sigmaaldrich)
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