Ethyl 6,8-dichlorooctanoate
C10H18Cl2O2
ethyl 6,8-dichlorooctanoate
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Identification
- CAS Number
- 1070-64-0
- EC Number
- 435-080-1
- UN Number
- 3082
- Index Number
- 607-655-00-7
- PubChem CID
- 14053
Physical-chemical properties
- Molecular Formula
- C10H18Cl2O2
- Molar Mass
- 241.15 g/mol
- IUPAC Name
- ethyl 6,8-dichlorooctanoate
Chemical Identifiers
- InChI
- InChI=1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3
- InChI Key
- RFYDWSNYTVVKBR-UHFFFAOYSA-N
Overview
Ethyl 6,8-dichlorooctanoate (CAS 1070-64-0) is a chlorinated fatty acid ester with selective reactivity and moderate environmental persistence. This specialized chemical compound belongs to the family of halogenated aliphatic esters, featuring two chlorine atoms strategically positioned on the octanoic acid chain at the 6 and 8 positions. With a molecular formula of C10H18Cl2O2 and molecular weight of 241.15 g/mol, ethyl 6,8-dichlorooctanoate exhibits unique chemical properties that make it valuable for specific industrial applications requiring controlled reactivity and stability. The compound's dichlorinated structure provides enhanced chemical resistance compared to non-halogenated esters, while maintaining the beneficial characteristics of ethyl ester functionality. This dual nature allows for selective chemical transformations and improved performance in demanding industrial environments. Unlike simpler compounds such as 2-phenylsulfanylaniline, ethyl 6,8-dichlorooctanoate offers the advantages of aliphatic chain flexibility combined with halogen-mediated reactivity control. From a safety perspective, ethyl 6,8-dichlorooctanoate is classified as a skin sensitizer (Skin Sens. 1) and presents chronic aquatic toxicity concerns (Aquatic Chronic 2), requiring appropriate handling protocols and environmental controls. The compound carries a "Warning" signal word and is associated with GHS07 and GHS09 pictograms, indicating both health and environmental hazards that must be considered during storage, handling, and transportation under ADR Class 9 regulations. Primary industrial applications include use as an intermediate in specialty chemical synthesis, as a building block for pharmaceutical compounds, and in the production of specialized surfactants and polymer additives. The compound's unique substitution pattern makes it particularly valuable in developing materials with specific performance characteristics. OYSI maintains reliable supply capabilities for ethyl 6,8-dichlorooctanoate to support European industrial requirements.
Safety & Classification
Skin Sens. 1; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Ethyl-6,8-Dichloroctanoat |
| Marine Pollutant | No |
Frequently Asked Questions
What is ethyl 6,8-dichlorooctanoate?
Ethyl 6,8-dichlorooctanoate is an organic chemical compound with the molecular formula C10H18Cl2O2 and CAS number 1070-64-0. This chlorinated ester has a molecular weight of 241.15 g/mol and features two chlorine atoms positioned at the 6th and 8th carbon positions of the octanoic acid chain. It is classified as a skin sensitizer and presents moderate environmental hazards to aquatic life.
What are the physicochemical properties of ethyl 6,8-dichlorooctanoate?
Ethyl 6,8-dichlorooctanoate is typically a liquid at room temperature due to its ester structure and moderate molecular weight of 241.15 g/mol. As a chlorinated organic compound, it likely exhibits limited water solubility but good solubility in organic solvents. The presence of two chlorine atoms affects its density and volatility compared to non-halogenated esters of similar chain length.
What is ethyl 6,8-dichlorooctanoate used for?
Ethyl 6,8-dichlorooctanoate is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its dichlorinated structure makes it valuable for producing more complex molecules through substitution or coupling reactions. It may also serve as a building block in the synthesis of agrochemicals, specialty chemicals, or as a reagent in research and development applications within the chemical industry.
How to handle ethyl 6,8-dichlorooctanoate safely?
Ethyl 6,8-dichlorooctanoate must be handled with appropriate personal protective equipment due to its skin sensitizing properties. Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Ensure adequate ventilation in work areas and avoid inhalation of vapors. Handle in well-ventilated areas or under fume hoods, and wash hands thoroughly after handling.
How to store ethyl 6,8-dichlorooctanoate properly?
Ethyl 6,8-dichlorooctanoate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Keep containers upright and properly labeled with hazard information. Store away from incompatible materials such as strong oxidizing agents, strong bases, and materials that may react with chlorinated compounds. Maintain storage temperature according to supplier specifications.
What to do in case of contact with ethyl 6,8-dichlorooctanoate?
In case of skin contact with ethyl 6,8-dichlorooctanoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if sensitization symptoms develop.
How to dispose of ethyl 6,8-dichlorooctanoate properly?
Ethyl 6,8-dichlorooctanoate must be disposed of in accordance with local, national, and international waste regulations as a hazardous chemical waste. Do not discharge into drains, waterways, or soil due to its aquatic toxicity classification. Contact licensed waste disposal companies for proper treatment and disposal. Consider recovery or recycling options where technically and economically feasible before disposal.
How to transport ethyl 6,8-dichlorooctanoate?
Ethyl 6,8-dichlorooctanoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging and ensure proper hazard labels and shipping papers accompany the shipment. Follow specific carrier requirements for Class 9 materials during transport.
Is ethyl 6,8-dichlorooctanoate subject to specific regulations?
Ethyl 6,8-dichlorooctanoate is subject to REACH regulation in Europe and must comply with CLP classification requirements, displaying GHS07 and GHS09 pictograms with 'Warning' signal word. It is not currently listed as a Substance of Very High Concern (SVHC). Users must follow occupational safety regulations for skin sensitizers and implement appropriate risk management measures according to safety data sheets.
Where to buy ethyl 6,8-dichlorooctanoate in Europe?
Ethyl 6,8-dichlorooctanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers, research institutions, and chemical manufacturers across Europe. Contact OYSI directly for availability, specifications, packaging options, and technical support. Ensure compliance with local regulations and obtain proper safety documentation before purchasing and using this chemical.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.