- Octanoic acid
- Octanoic acid zirconium salt
- Octanoic acid, 2,2-dimethyl-, ethenyl ester
- Octanoic acid, 2-bromo-
- Octanoic acid, 2-butyl-
- Octanoic acid, 2-ethyl-
- Octanoic acid, 4-oxo-
- Octanoic acid, 5-oxo-
- Octanoic acid, 6,8-dimercapto-
- Octanoic acid, lead salt
- 1070-68-4Heptanoicacid, 5-methyl-
- 1070-70-82-Propenoic acid,1,1'-(1,4-butanediyl) ester
- 1070-71-9Cyanoacetylene
- 107-07-3Ethanol, 2-chloro-
- 107073-27-82-Thiophenemethanol,3-(1H-pyrrol-1-yl)-
- 1070-74-2Ethyne-d2
- 1070774-29-63-Fluoropyridine-2-boronic acid
- 1070-78-6Propane,1,1,1,3-tetrachloro-
- 1070-83-3Butanoicacid, 3,3-dimethyl-
- 107-08-41-Iodopropane
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
| Name |
Octanoic acid,8-chloro-6-hydroxy-, ethyl ester |
EINECS | N/A |
| CAS No. | 1070-65-1 | Density | 1.079 g/cm3 |
| PSA | 46.53000 | LogP | 2.09970 |
| Solubility | N/A | Melting Point |
136 °C |
| Formula | C10H19ClO3 | Boiling Point | 311.2 °C at 760 mmHg |
| Molecular Weight | 222.712 | Flash Point | 142 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R36/37/38 | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
6-Hydroxy-8-chlorocaprylate;6-Hydroxy-8-chlorooctanoic acid ethyl ester;Ethyl 8-chloro-6-hydroxyoctanoate; |
Octanoic acid,8-chloro-6-hydroxy-, ethyl ester Synthetic route
| Conditions | Yield |
|---|---|
| With thionyl chloride; 1,1,2,2-tetrachloroethane 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; |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; tetrabutylammomium bromide; ammonia In 1,2-dichloro-ethane at 10 - 30℃; for 2h; Large scale; | 95 kg |
| 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 |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
- 90435-60-2
(+)-8-chloro-6-hydroxy-octanoic acid
| Conditions | Yield |
|---|---|
| With lithium hydroxide In ethanol Ambient temperature; Yield given; |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
- 120476-67-7
N-(3-chloropropyl)-8-chloro-6-hydroxyoctylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: LiOH*H2O / aq. ethanol / Ambient temperature 2: 89 percent / N-methylmorpholine, 1-N-hydroxybenzotriazole, dicyclohexylcarbodiimide / dimethylformamide / 96 h / Ambient temperature 3: 75.4 percent / B2H6 / tetrahydrofuran / Ambient temperature View Scheme |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
- 120476-66-6
N-(3-chloropropyl)-8-chloro-6-hydroxyoctanamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: LiOH*H2O / aq. ethanol / Ambient temperature 2: 89 percent / N-methylmorpholine, 1-N-hydroxybenzotriazole, dicyclohexylcarbodiimide / dimethylformamide / 96 h / Ambient temperature View Scheme |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
- 120476-68-8
N-(tert-butyloxycarbonyl)-N-(3-chloropropyl)-8-chloro-6-hydroxyoctylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: LiOH*H2O / aq. ethanol / Ambient temperature 2: 89 percent / N-methylmorpholine, 1-N-hydroxybenzotriazole, dicyclohexylcarbodiimide / dimethylformamide / 96 h / Ambient temperature 3: 75.4 percent / B2H6 / tetrahydrofuran / Ambient temperature 4: 77 percent / NaHCO3, NaCl / CHCl3; H2O / 2 h / Heating View Scheme |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
- 120476-75-7
(8-Chloro-6-hydroxy-octyl)-(3-chloro-propyl)-carbamic acid benzyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: LiOH*H2O / aq. ethanol / Ambient temperature 2: 89 percent / N-methylmorpholine, 1-N-hydroxybenzotriazole, dicyclohexylcarbodiimide / dimethylformamide / 96 h / Ambient temperature 3: 75.4 percent / B2H6 / tetrahydrofuran / Ambient temperature 4: 84 percent / 1M KOH / diethyl ether / Ambient temperature View Scheme |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
- 120476-69-9
N-(tert-butyloxycarbonyl)-N-(3-azidopropyl)-8-azido-6-hydroxyoctylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: LiOH*H2O / aq. ethanol / Ambient temperature 2: 89 percent / N-methylmorpholine, 1-N-hydroxybenzotriazole, dicyclohexylcarbodiimide / dimethylformamide / 96 h / Ambient temperature 3: 75.4 percent / B2H6 / tetrahydrofuran / Ambient temperature 4: 77 percent / NaHCO3, NaCl / CHCl3; H2O / 2 h / Heating 5: 93 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C View Scheme |
- 1070-65-1
6-hydroxy-8-chlorooctanoic acid ethyl ester
- 120476-76-8
(8-Chloro-6-hydroxy-octyl)-(3-chloro-propyl)-carbamic acid 4-nitro-benzyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: LiOH*H2O / aq. ethanol / Ambient temperature 2: 89 percent / N-methylmorpholine, 1-N-hydroxybenzotriazole, dicyclohexylcarbodiimide / dimethylformamide / 96 h / Ambient temperature 3: 75.4 percent / B2H6 / tetrahydrofuran / Ambient temperature 4: 70 percent / 1M KOH / diethyl ether / Ambient temperature View Scheme |
Octanoic acid,8-chloro-6-hydroxy-, ethyl ester Specification
The Octanoic acid,8-chloro-6-hydroxy-, ethyl ester, with the CAS registry number 1070-65-1, is also known as 6-Hydroxy-8-chlorooctanoic acid ethyl ester. This chemical's molecular formula is C10H19ClO3 and molecular weight is 222.71. What's more, its systematic name is Ethyl 8-chloro-6-hydroxyoctanoate and it belongs to the product categories of Pharmaceutical Intermediates; Organic acids.
Physical properties of Octanoic acid,8-chloro-6-hydroxy-, ethyl ester are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.35; (6)ACD/BCF (pH 7.4): 15.35; (7)ACD/KOC (pH 5.5): 245.79; (8)ACD/KOC (pH 7.4): 245.79; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 56.49 cm3; (15)Molar Volume: 206.3 cm3; (16)Polarizability: 22.39×10-24 cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.079 g/cm3; (19)Flash Point: 142 °C; (20)Enthalpy of Vaporization: 64.02 kJ/mol; (21)Boiling Point: 311.2 °C at 760 mmHg; (22)Vapour Pressure: 5.08E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CCCCC(CCCl)O
(2)InChI: InChI=1S/C10H19ClO3/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9,12H,2-8H2,1H3
(3)InChIKey: YSFJHUHDLIFMPB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | oral | 2500 mg/kg (2500 mg/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. |
What can I do for you?
Get Best Price
