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| CAS No.: | 1070-64-0 |
|---|---|
| Name: | Ethyl 6,8-dichlorooctanoate |
| Molecular Structure: | |
|
|
|
| Formula: | C10H18Cl2O2 |
| Molecular Weight: | 241.158 |
| Synonyms: | 6,8-Dichlorooctanoicacid ethyl ester; |
| EINECS: | 435-080-1 |
| Density: | 1.094 g/cm3 |
| Boiling Point: | 288.5 °C at 760 mmHg |
| Flash Point: | 105.1 °C |
| Appearance: | Colorless to yellowish transparent liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 3.34620 |
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| Conditions | Yield |
|---|---|
| With phosgene; N,N'-dimethylbenzylamine In 1,2-dichloro-ethane at 10 - 75℃; for 2.5h; Concentration; Solvent; Reagent/catalyst; Temperature; | 96.69% |
| With pyridine; thionyl chloride; benzene | |
| With thionyl chloride In toluene at 100℃; for 5h; Reagent/catalyst; Solvent; Cooling with ice; Large scale; | 480 kg |
- 1070-64-0
6,8-dichlorooctanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With thionyl chloride at 80℃; for 4h; Reagent/catalyst; Temperature; Alkaline conditions; | 87% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1,1,2,2-tetrachloro-ethane; thionyl chloride / anschliessendes Behandeln mit Aethylen und Aluminiumchlorid und Behandeln der nach dem Versetzen mit wss.Salzsaeure erhaltenen nicht-waessrigen Phase des Reaktionsgemisches mit Natriumboranat in Aethanol 2: benzene; pyridine; thionyl chloride View Scheme |
- 22054-13-3
7-hydroxyheptanal
- 1070-64-0
6,8-dichlorooctanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: Pt/γ-Al2O3 / toluene / 100 °C 2: alumina / 350 °C 3: Amberlyst-15 / 10 h / 100 °C 4: Pd/γ-Al2O3; hydrogen / water / 100 °C / 37503.8 Torr / Sealed tube 5: thionyl chloride / 4 h / 80 °C / Alkaline conditions View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: alumina / 350 °C 2: Amberlyst-15 / 10 h / 100 °C 3: Pd/γ-Al2O3; hydrogen / water / 100 °C / 37503.8 Torr / Sealed tube 4: thionyl chloride / 4 h / 80 °C / Alkaline conditions View Scheme |
- 25118-23-4
ethyl 6-heptenoate
- 1070-64-0
6,8-dichlorooctanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: Amberlyst-15 / 10 h / 100 °C 2: Pd/γ-Al2O3; hydrogen / water / 100 °C / 37503.8 Torr / Sealed tube 3: thionyl chloride / 4 h / 80 °C / Alkaline conditions View Scheme |
| Conditions | Yield |
|---|---|
| With ammonium hydrogen sulfite; sodium sulfide nonahydrate; sulfur In propan-1-ol; water; isopropyl alcohol at 70℃; for 3.5h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere; Darkness; | 30.6% |
- 1070-64-0
6,8-dichlorooctanoic acid ethyl ester
- 98997-92-3
6,8-dichloro-octan-1-ol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; diethyl ether |
- 1070-64-0
6,8-dichlorooctanoic acid ethyl ester
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5,7-dichloro-heptanoic acid
- 1070-64-0
6,8-dichlorooctanoic acid ethyl ester
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8-bromo-1,3-dichloro-octane
| Conditions | Yield |
|---|---|
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Chemistry
Molecular Structure:
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Molecular Formula: C10H18Cl2O2
Molecular Weight: 241.1547
IUPAC Name: Ethyl 6,8-dichlorooctanoate
Synonyms of Octanoic acid, 6,8-dichloro-, ethyl ester (CAS NO.1070-64-0): 4-02-00-00998 (Beilstein Handbook Reference) ; 6,8-Dichlorooctanoic acid ethyl ester ; BRN 1771820
CAS NO: 1070-64-0
Index of Refraction: 1.455
Molar Refractivity: 59.8 cm3
Molar Volume: 220.2 cm3
Surface Tension: 33.2 dyne/cm
Density: 1.094 g/cm3
Flash Point: 105.1 °C
Enthalpy of Vaporization: 52.78 kJ/mol
Boiling Point: 288.5 °C at 760 mmHg
Vapour Pressure: 0.00233 mmHg at 25°C
Uses
Octanoic acid, 6,8-dichloro-, ethyl ester (CAS NO.1070-64-0) is used for vitamin class medicine lipoic acid, lipoic amide intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | oral | 3700mg/kg (3700mg/kg) | BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(10), Pg. 39, 1977. |
Safety Profile
Hazard Codes of Octanoic acid, 6,8-dichloro-, ethyl ester (CAS NO.1070-64-0): 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 2