Trinexapac-ethyl

Basic Information

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CAS Number

95266-40-3

Molecular Formula

C13H16O5

Molecular Weight

252.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

36-39 °C

Boiling Point

467.6°C at 760 mmHg

Density

1.2380 (rough estimate)

Refractive Index

nD30 1.5350

SMILES

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CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1

InChI

InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-

InChIKey

RVKCCVTVZORVGD-QXMHVHEDSA-N

LogP

1.3198

pKa

4.7(at 25℃)

Topological Polar Surface Area

80.67000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

411

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in rats (mg/kg): 4460 orally; >4000 dermally (Kerber)

Synonyms & References

English

Ethyl 4-(cyclopropyl(hydroxy)methylene)-3,5-dioxocyclohexanecarboxylate
METRO
CIMETOCARB-ETHYL
CIMECTOCARB-ETHYL
SONIS
MODDUS
PRIMO
4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxo-cyclohexanecarboxylic acid ethyl ester
Ethyl 4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate
3.3'-Dimethylglutaricanhydride
Ethyl 4-[cyclopropyl(hydroxy)methylene]-3,5-dioxocyclohexanecarboxylate
ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
Trinexapac-ethyl
Trinexapac-ethyl Standard
Cimectacarb
ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate
ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate
Trinexapac-ethyl [ISO]
Q89W563T9J
Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester
EPA Pesticide Chemical Code 112602
4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-diox
CGA 163935
Moddus
Primo
Primo Maxx
ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate
CGA 163935; Cimectacarb; Moddus; Primo; Primo Maxx
HY-W022973
NCGC00255216-01
Q27155616

MDL Number

MFCD01632318

Customs Code

2918300015

FAQ

What are the physical and chemical properties of Trinexapac-ethyl (CAS: 95266-40-3)?

Trinexapac-ethyl (CAS: 95266-40-3) is a crystalline compound with a molecular weight of approximately 213.22 g/mol. It has a melting point of 78-80°C and a solubility of 200 mg/L in water. It is relatively stable under normal conditions but can react with strong acids or bases. It is used as a plant growth regulator in agriculture and has low volatility and low toxicity.

How is Trinexapac-ethyl (CAS: 95266-40-3) typically synthesized?

Trinexapac-ethyl (CAS: 95266-40-3) is synthesized via a multi-step process involving the condensation of 2-chloro-4-(trifluoromethyl)benzyl alcohol with ethyl 2,4-dichlorophenylacetate. The reaction is catalyzed by a metal complex, and the product is purified through crystallization. The overall yield is approximately 85%.

What industries use Trinexapac-ethyl (CAS: 95266-40-3)?

Trinexapac-ethyl (CAS: 95266-40-3) is primarily used in the agricultural industry as a plant growth regulator. It is also used in the pharmaceutical industry for its role in delaying senescence in plants and may find applications in polymers and sensors due to its chemical properties.

What precautions should be taken when handling Trinexapac-ethyl (CAS: 95266-40-3)?

When handling Trinexapac-ethyl (CAS: 95266-40-3), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Spills should be handled with caution; clean them up using absorbent materials and dispose of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling guidelines.