Product Name

  • Name

    ETHYL 8-CHLORO-6-HYDROXYOCTANATE

  • EINECS
  • CAS No. 1070-65-1
  • Density 1.079 g/cm3
  • Solubility
  • Melting Point 136 °C
  • Formula C10H19ClO3
  • Boiling Point 311.2 °C at 760 mmHg
  • Molecular Weight 222.712
  • Flash Point 142 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R36/37/38
  • Molecular Structure Molecular Structure of 1070-65-1 (ETHYL 8-CHLORO-6-HYDROXYOCTANATE)
  • Hazard Symbols Xi
  • Synonyms 6-Hydroxy-8-chlorocaprylate;6-Hydroxy-8-chlorooctanoic acid ethyl ester;Ethyl 8-chloro-6-hydroxyoctanoate;
  • PSA 46.53000
  • LogP 2.09970

Synthetic route

adipinic acid monoethyl ester
626-86-8

adipinic acid monoethyl ester

6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

Conditions
ConditionsYield
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;
ethyl 6-oxo-8-chlorooctanoate

ethyl 6-oxo-8-chlorooctanoate

6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

Conditions
ConditionsYield
With sodium tetrahydroborate; tetrabutylammomium bromide; ammonia In 1,2-dichloro-ethane at 10 - 30℃; for 2h; Large scale;95 kg
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

6,8-dichlorooctanoic acid ethyl ester
1070-64-0

6,8-dichlorooctanoic acid ethyl ester

Conditions
ConditionsYield
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
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

(+)-8-chloro-6-hydroxy-octanoic acid
90435-60-2

(+)-8-chloro-6-hydroxy-octanoic acid

Conditions
ConditionsYield
With lithium hydroxide In ethanol Ambient temperature; Yield given;
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

N-(3-chloropropyl)-8-chloro-6-hydroxyoctylamine
120476-67-7

N-(3-chloropropyl)-8-chloro-6-hydroxyoctylamine

Conditions
ConditionsYield
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
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

N-(3-chloropropyl)-8-chloro-6-hydroxyoctanamide
120476-66-6

N-(3-chloropropyl)-8-chloro-6-hydroxyoctanamide

Conditions
ConditionsYield
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
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

N-(tert-butyloxycarbonyl)-N-(3-chloropropyl)-8-chloro-6-hydroxyoctylamine
120476-68-8

N-(tert-butyloxycarbonyl)-N-(3-chloropropyl)-8-chloro-6-hydroxyoctylamine

Conditions
ConditionsYield
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
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

(8-Chloro-6-hydroxy-octyl)-(3-chloro-propyl)-carbamic acid benzyl ester
120476-75-7

(8-Chloro-6-hydroxy-octyl)-(3-chloro-propyl)-carbamic acid benzyl ester

Conditions
ConditionsYield
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
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

N-(tert-butyloxycarbonyl)-N-(3-azidopropyl)-8-azido-6-hydroxyoctylamine
120476-69-9

N-(tert-butyloxycarbonyl)-N-(3-azidopropyl)-8-azido-6-hydroxyoctylamine

Conditions
ConditionsYield
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
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

(8-Chloro-6-hydroxy-octyl)-(3-chloro-propyl)-carbamic acid 4-nitro-benzyl ester
120476-76-8

(8-Chloro-6-hydroxy-octyl)-(3-chloro-propyl)-carbamic acid 4-nitro-benzyl ester

Conditions
ConditionsYield
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
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

(8-Azido-6-hydroxy-octyl)-(3-azido-propyl)-carbamic acid benzyl ester
120476-77-9

(8-Azido-6-hydroxy-octyl)-(3-azido-propyl)-carbamic acid benzyl ester

Conditions
ConditionsYield
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: 84 percent / 1M KOH / diethyl ether / Ambient temperature
5: 65 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

Methanesulfonic acid 1-(2-azido-ethyl)-6-[(3-azido-propyl)-tert-butoxycarbonyl-amino]-hexyl ester
120476-79-1

Methanesulfonic acid 1-(2-azido-ethyl)-6-[(3-azido-propyl)-tert-butoxycarbonyl-amino]-hexyl ester

Conditions
ConditionsYield
Multi-step reaction with 6 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
6: 92 percent / Et3N / CH2Cl2 / Ambient temperature
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

(8-Azido-6-hydroxy-octyl)-(3-azido-propyl)-carbamic acid 4-nitro-benzyl ester
120476-78-0

(8-Azido-6-hydroxy-octyl)-(3-azido-propyl)-carbamic acid 4-nitro-benzyl ester

Conditions
ConditionsYield
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: 70 percent / 1M KOH / diethyl ether / Ambient temperature
5: 88 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

N1-(3-Amino-propyl)-6-[(3aS,4S,6R,6aR)-6-(6-amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-octane-1,8-diamine

N1-(3-Amino-propyl)-6-[(3aS,4S,6R,6aR)-6-(6-amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-octane-1,8-diamine

Conditions
ConditionsYield
Multi-step reaction with 8 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
5: 88 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
6: 99 percent / Et3N / CH2Cl2 / Ambient temperature
7: 43 percent / sodium methoxide / a) r.t., 48 h, b) 25 deg C, 12 h, sonication
8: 49 mg / H2, ethanol / 10percent Pd/C / methanol / 2585.7 Torr
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

Methanesulfonic acid 1-(2-azido-ethyl)-6-[(3-azido-propyl)-benzyloxycarbonyl-amino]-hexyl ester
120496-27-7

Methanesulfonic acid 1-(2-azido-ethyl)-6-[(3-azido-propyl)-benzyloxycarbonyl-amino]-hexyl ester

Conditions
ConditionsYield
Multi-step reaction with 6 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
5: 65 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
6: 88 percent / Et3N / CH2Cl2 / Ambient temperature
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

Methanesulfonic acid 1-(2-azido-ethyl)-6-[(3-azido-propyl)-(4-nitro-benzyloxycarbonyl)-amino]-hexyl ester
120476-80-4

Methanesulfonic acid 1-(2-azido-ethyl)-6-[(3-azido-propyl)-(4-nitro-benzyloxycarbonyl)-amino]-hexyl ester

Conditions
ConditionsYield
Multi-step reaction with 6 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
5: 88 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
6: 99 percent / Et3N / CH2Cl2 / Ambient temperature
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

{6-[(3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-8-azido-octyl}-(3-azido-propyl)-carbamic acid tert-butyl ester

{6-[(3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-8-azido-octyl}-(3-azido-propyl)-carbamic acid tert-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 7 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
6: 92 percent / Et3N / CH2Cl2 / Ambient temperature
7: 28 percent / sodium methoxide / a) r.t., 48 h, b) 25 deg C, 12 h, sonication
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

{6-[(3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-8-azido-octyl}-(3-azido-propyl)-carbamic acid benzyl ester

{6-[(3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-8-azido-octyl}-(3-azido-propyl)-carbamic acid benzyl ester

Conditions
ConditionsYield
Multi-step reaction with 7 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
5: 65 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
6: 88 percent / Et3N / CH2Cl2 / Ambient temperature
7: 80 percent / sodium methoxide / a) r.t., 48 h, b) 25 deg C, 12 h, sonication
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

S-(5'-deoxy-5'-adenosyl)-N-(3-aminopropyl)-8-amino-6-thiooctylamine formate salt

S-(5'-deoxy-5'-adenosyl)-N-(3-aminopropyl)-8-amino-6-thiooctylamine formate salt

Conditions
ConditionsYield
Multi-step reaction with 9 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
5: 88 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
6: 99 percent / Et3N / CH2Cl2 / Ambient temperature
7: 43 percent / sodium methoxide / a) r.t., 48 h, b) 25 deg C, 12 h, sonication
8: 49 mg / H2, ethanol / 10percent Pd/C / methanol / 2585.7 Torr
9: 88percent formic acid / 3 h / Ambient temperature
View Scheme
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

{6-[(3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-8-azido-octyl}-(3-azido-propyl)-carbamic acid 4-nitro-benzyl ester
120476-70-2

{6-[(3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethylsulfanyl]-8-azido-octyl}-(3-azido-propyl)-carbamic acid 4-nitro-benzyl ester

Conditions
ConditionsYield
Multi-step reaction with 7 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
5: 88 percent / LiN3, LiI / dimethylformamide / 30 h / 60 °C
6: 99 percent / Et3N / CH2Cl2 / Ambient temperature
7: 43 percent / sodium methoxide / a) r.t., 48 h, b) 25 deg C, 12 h, sonication
View Scheme
vinyl propionate
105-38-4

vinyl propionate

6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

A

C13H23ClO4

C13H23ClO4

B

ethyl (R)-8-chloro-6-hydroxyoctanoate
852383-82-5

ethyl (R)-8-chloro-6-hydroxyoctanoate

C

acetaldehyde
75-07-0

acetaldehyde

Conditions
ConditionsYield
With Novozym 435 (lipase B from Candida antarctica) In di-isopropyl ether at 40℃; for 7h; Resolution of racemate; Enzymatic reaction;A n/a
B n/a
C n/a
...Expand
vinyl n-butyrate
123-20-6

vinyl n-butyrate

6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

A

C14H25ClO4

C14H25ClO4

B

ethyl (R)-8-chloro-6-hydroxyoctanoate
852383-82-5

ethyl (R)-8-chloro-6-hydroxyoctanoate

C

acetaldehyde
75-07-0

acetaldehyde

Conditions
ConditionsYield
With Novozym 435 (lipase B from Candida antarctica) In di-isopropyl ether at 40℃; for 7h; Resolution of racemate; Enzymatic reaction;A n/a
B n/a
C n/a
...Expand
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

acetic anhydride
108-24-7

acetic anhydride

A

C12H21ClO4

C12H21ClO4

B

ethyl (R)-8-chloro-6-hydroxyoctanoate
852383-82-5

ethyl (R)-8-chloro-6-hydroxyoctanoate

Conditions
ConditionsYield
With Novozym 435 (lipase B from Candida antarctica) In di-isopropyl ether at 40℃; for 7h; Resolution of racemate; Enzymatic reaction;A n/a
B n/a
...Expand
butanoic acid anhydride
106-31-0

butanoic acid anhydride

6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

A

C14H25ClO4

C14H25ClO4

B

ethyl (R)-8-chloro-6-hydroxyoctanoate
852383-82-5

ethyl (R)-8-chloro-6-hydroxyoctanoate

Conditions
ConditionsYield
With Novozym 435 (lipase B from Candida antarctica) In di-isopropyl ether at 40℃; for 7h; Resolution of racemate; Enzymatic reaction;A n/a
B n/a
...Expand
6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

2-Methylpropionic anhydride
97-72-3

2-Methylpropionic anhydride

A

C14H25ClO4

C14H25ClO4

B

ethyl (R)-8-chloro-6-hydroxyoctanoate
852383-82-5

ethyl (R)-8-chloro-6-hydroxyoctanoate

Conditions
ConditionsYield
With Novozym 435 (lipase B from Candida antarctica) In di-isopropyl ether at 40℃; for 7h; Resolution of racemate; Enzymatic reaction;A n/a
B n/a
...Expand
pentanoic anhydride
2082-59-9

pentanoic anhydride

6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

A

C15H27ClO4

C15H27ClO4

B

ethyl (R)-8-chloro-6-hydroxyoctanoate
852383-82-5

ethyl (R)-8-chloro-6-hydroxyoctanoate

Conditions
ConditionsYield
With Novozym 435 (lipase B from Candida antarctica) In di-isopropyl ether at 40℃; for 7h; Resolution of racemate; Enzymatic reaction;A n/a
B n/a
...Expand
vinyl acetate
108-05-4

vinyl acetate

6-hydroxy-8-chlorooctanoic acid ethyl ester
1070-65-1

6-hydroxy-8-chlorooctanoic acid ethyl ester

A

C12H21ClO4

C12H21ClO4

B

ethyl (R)-8-chloro-6-hydroxyoctanoate
852383-82-5

ethyl (R)-8-chloro-6-hydroxyoctanoate

C

acetaldehyde
75-07-0

acetaldehyde

Conditions
ConditionsYield
With Novozym 435 (lipase B from Candida antarctica) In di-isopropyl ether at 40℃; for 7h; Reagent/catalyst; Solvent; Time; Temperature; Resolution of racemate; Enzymatic reaction;A n/a
B n/a
C n/a
...Expand

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.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View