6-Methylheptyl (2,4-dichlorophenoxy)acetate | CAS No. 25168-26-7

Q: What are the physical and chemical properties of 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7)?

6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) is a white or off-white crystalline solid at room temperature. It has a molecular weight of approximately 337.04 g/mol and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is known for its ester reactivity and is less prone to hydrolysis compared to other similar compounds. It exhibits good stability under acidic and basic conditions but is sensitive to strong oxidizing agents.

Q: How is 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) typically synthesized?

6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) is typically synthesized via the esterification reaction of 2,4-dichlorophenoxyacetic acid with 6-methylheptyl alcohol in the presence of an acid catalyst such as sulfuric acid. The reaction is carried out under reflux conditions to ensure complete conversion. The yield is generally around 85-90%, and the reaction is highly selective, with minimal by-products formed.

Q: What industries use 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7)?

6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) is primarily used in the agricultural industry as a herbicide. It can also find applications in the pharmaceutical industry, particularly in the synthesis of certain drugs. Additionally, it may be used in polymer synthesis, as a raw material for the production of various organic compounds, and in the manufacturing of sensors and semiconductors for electronic devices.

Q: What precautions should be taken when handling 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7)?

When handling 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. In case of skin contact, wash the affected area with copious amounts of water. For eye contact, rinse with water for at least 15 minutes and seek medical attention. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

6-Methylheptyl (2,4-dichlorophenoxy)acetate

Basic Information

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CAS Number

25168-26-7

Molecular Formula

C16H22Cl2O3

Molecular Weight

333.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

12°C

Boiling Point

449.37°C (rough estimate)

Water Solubility

<0.1 g/100 mL at 21 ºC

Flash Point

48 ºC

Refractive Index

1.5810 (estimate)

SMILES

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CC(C)CCCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3

InChIKey

BBPLSOGERZQYQC-UHFFFAOYSA-N

LogP

5.131800000000005

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

297

Safety Information

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GHS Hazard Pictograms

H302

H317

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Chipman 2,4-D Gran 20
Isooctyl (2,4-dichlorophenoxy)acetate
Herbate Ester 80
3035-67-4
Reed LV 400 2,4-D
Esteron 6E Herbicide
Reed LV 600 2,4-D
Miller's Lo Vol 4# 2,4-D
6-Methylheptyl (2,4-dichlorophenoxy)acetate
2,4-dichlorophenoxyacetic acid i-octyl ester
6-methylheptyl2-(2,4-dichlorophenoxy)acetate
Monsanto 2,4-D Granular
Silvapron D
2,4-D isooctyl ester; Isooctyl (2,4-dichlorophenoxy)acetate; 2-Ethyl-4-methylpentyl 2,4-dichlorophenoxyacetate
Monsanto 2,4-D Low Volatile Ester
Reed LV 2,4-D
Naco LV-4D Weed Killer
Isooktylester kyseliny 2,4-dichlorfenoxyoctove
Isooctyl 2,4-dichlorophenoxyacetate
Stull's Low Volatile Weed Killer
Weedtrine-II
NS00113840
AKOS015888317
J-015847
Farmco DLV-400 Special
Rhodia 2,4-D Low Volatile Ester 4L
Isooktylester kyseliny 2,4-dichlorfenoxyoctove [Czech]
Chipman 2,4-D Low Volatile Ester 6
Acetic acid, (2,4-dichlorophenoxy)-, isooctyl ester
Ded-weed sulv amine
SCHEMBL4789498

MDL Number

MFCD00137356

FAQ

What are the physical and chemical properties of 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7)?

6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) is a white or off-white crystalline solid at room temperature. It has a molecular weight of approximately 337.04 g/mol and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is known for its ester reactivity and is less prone to hydrolysis compared to other similar compounds. It exhibits good stability under acidic and basic conditions but is sensitive to strong oxidizing agents.

How is 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) typically synthesized?

6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) is typically synthesized via the esterification reaction of 2,4-dichlorophenoxyacetic acid with 6-methylheptyl alcohol in the presence of an acid catalyst such as sulfuric acid. The reaction is carried out under reflux conditions to ensure complete conversion. The yield is generally around 85-90%, and the reaction is highly selective, with minimal by-products formed.

What industries use 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7)?

6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7) is primarily used in the agricultural industry as a herbicide. It can also find applications in the pharmaceutical industry, particularly in the synthesis of certain drugs. Additionally, it may be used in polymer synthesis, as a raw material for the production of various organic compounds, and in the manufacturing of sensors and semiconductors for electronic devices.

What precautions should be taken when handling 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7)?

When handling 6-Methylheptyl (2,4-dichlorophenoxy)acetate (CAS: 25168-26-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. In case of skin contact, wash the affected area with copious amounts of water. For eye contact, rinse with water for at least 15 minutes and seek medical attention. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.