Ethyl 6,8-dichlorooctanoate

Basic Information

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CAS Number

1070-64-0

Molecular Formula

C10H18Cl2O2

Molecular Weight

241.16 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

Basic Physical Properties

Boiling Point

288.5°C at 760 mmHg

Refractive Index

n20/D 1.462(lit.)

SMILES

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CCOC(=O)CCCCC(CCCl)Cl

InChI

InChI=1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3

InChIKey

RFYDWSNYTVVKBR-UHFFFAOYSA-N

LogP

3.3462000000000014

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

151

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

O11809
6,8-dichloro-octanoic acid
FT-0602570
NS00077929
4-02-00-00998 (Beilstein Handbook Reference)
6,8-Dichlorooctanoic acid ethyl ester
AKOS015848527
Ethyl 6,8-dichlorooctanoate
J-001695
ethyl-6,8-dichlorooctanoate
CS-W006088
MFCD01711127
BRN 1771820
OCTANOIC ACID, 6,8-DICHLORO-, ETHYL ESTER
DS-1036
Ethyl 6,8-dichlorooctanoate, 95%
AMY22512
DTXSID30910209
EC 435-080-1
Ethyl6,8-dichlorooctanoate
C10H18Cl2O2
6,8-Dichloro ethyl caprylate
Ethyl 6,8-dichlorocaprylate
SCHEMBL5480353
1070-64-0
6,8-Dichloro-octanoic acid ethyl ester
6,8-dichloro-octanoicaciethylester
ETHYL-6,8-DICHLOROOCTANATE
6,8-DICHLOROETHYLCAPRYLATE
6,8-DICHLOROOCTANOATE
6,8-DICHLOROOCTANOIC ACID ETHYL ESTER(EDCO)

MDL Number

MFCD01711127

Customs Code

2915900090

FAQ

What is Ethyl 6,8-dichlorooctanoate (CAS: 1070-64-0)?

Ethyl 6,8-dichlorooctanoate is an organic compound with the chemical formula C10H16Cl2O2. It is a chlorinated ester derived from octanoic acid and is characterized by its relatively high boiling point and moderate solubility in organic solvents. This compound is commonly used in chemical synthesis and research due to its reactivity and structural versatility.

What are the main uses of Ethyl 6,8-dichlorooctanoate (CAS: 1070-64-0)?

Ethyl 6,8-dichlorooctanoate is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in the production of specialty chemicals, agrochemicals, and as a reagent in organic synthesis. Its use in food industry is limited, but it may be employed in research related to flavor chemistry and material science.

Is Ethyl 6,8-dichlorooctanoate (CAS: 1070-64-0) safe?

Ethyl 6,8-dichlorooctanoate is generally considered safe when handled properly, but it may cause irritation to the skin, eyes, and respiratory system. Safety data sheets (SDS) recommend using personal protective equipment (PPE) such as gloves and goggles. It is important to follow standard safety protocols and ensure proper ventilation to minimize exposure risks.

How should Ethyl 6,8-dichlorooctanoate (CAS: 1070-64-0) be stored?

Ethyl 6,8-dichlorooctanoate should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or stainless steel to prevent contamination. Storage at temperatures below 25°C is recommended to maintain stability and prevent decomposition.