thioctic acid (CAS 62-46-4) — formula C8H14O2S2, molecular weight 206.3; category organic chemicals.
| CAS Number | 62-46-4 |
|---|---|
| Molecular Formula | C8H14O2S2 |
| Molecular Weight | 206.3 |
| Melting Point | 60.5 |
| Boiling Point | 162.5 |
| LogP | 2.1 |
| Applications | Uses: Nutrition, biochemical research, Thioctic acid, dl-form, THERAPEUTIC CATEGORY: Treatment of liver disease, antidote to poisonous mushrooms (Amanita species)., Use (kg, approx.) in Germany (2009): >7500, Consumption (g per capita, approx.) in Germany (2009): 0.0916, Calculated removal (%): 96.4, For nutritional supplementation, also for treating dietary shortage or imbalance., Household Products: Information on 1 consumer products that contain Thioctic Acid in the following categories is provided:, • Personal Care, Methods of Manufacturing: Industrial synthesis of thioctic acid is performed in three stages. Monomethyl or monoethyl adipate is converted into the corresponding acid chloride by reaction with thionyl chloride. Treatment with ethylene in the presence of anhydrous aluminum chloride yields 8-chloro-6-ketooctanoate. In the second stage, this ester is reduced to 8-chloro-6-hydroxyoctanoate by using thionyl chloride in pyridine. In the third stage, the chlorine atoms are replaced by sulfur atoms by treatment with sodium disulfide. Hydrolysis of the resulting dithionooctyl ester formed with alcoholic potassium hydroxide gives thioctic acid., Formulations, Preparations: Oral: Capsules 30 mg Coenzyme Q10, 12-5 mg alpha-Lipoic Acid, Coquinone 30 (USANA Health Sciences Inc)., Coquinone 30, Juvenon: acetyl-L-carnitine and alpha lipoic acid, General Manufacturing Information: Helps the body maintain healthy skeletal and cardiac muscle |
| Category | Organic Chemicals |
Documented applications: Uses: Nutrition, biochemical research, Thioctic acid, dl-form, THERAPEUTIC CATEGORY: Treatment of liver disease, antidote to poisonous mushrooms (Amanita species)., Use (kg, approx.) in Germany (2009): >7500, Consumption (g per capita, approx.) in Germany (2009): 0.0916, Calculated removal (%): 96.4, For nutritional supplementation, also for treating dietary shortage or imbalance., Household Products: Information on 1 consumer products that contain Thioctic Acid in the following categories is provided:, • Personal Care, Methods of Manufacturing: Industrial synthesis of thioctic acid is performed in three stages. Monomethyl or monoethyl adipate is converted into the corresponding acid chloride by reaction with thionyl chloride. Treatment with ethylene in the presence of anhydrous aluminum chloride yields 8-chloro-6-ketooctanoate. In the second stage, this ester is reduced to 8-chloro-6-hydroxyoctanoate by using thionyl chloride in pyridine. In the third stage, the chlorine atoms are replaced by sulfur atoms by treatment with sodium disulfide. Hydrolysis of the resulting dithionooctyl ester formed with alcoholic potassium hydroxide gives thioctic acid., Formulations, Preparations: Oral: Capsules 30 mg Coenzyme Q10, 12-5 mg alpha-Lipoic Acid, Coquinone 30 (USANA Health Sciences Inc)., Coquinone 30, Juvenon: acetyl-L-carnitine and alpha lipoic acid, General Manufacturing Information: Helps the body maintain healthy skeletal and cardiac muscle.
thioctic acid is a carbon-based organic compound with CAS registry number 62-46-4 and molecular formula C8H14O2S2 (molecular weight 206.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62-46-4
Its molecular formula C8H14O2S2 comprises 8 C, 14 H, 2 O, 2 S atoms.
Also known as: thioctic acid · 硫辛酸
Category: organic chemicals
The CAS registry number of thioctic acid is 62-46-4.
Molecular formula C8H14O2S2, molecular weight 206.3.
It is also registered under: thioctic acid, 硫辛酸.
Recorded applications: Uses: Nutrition, biochemical research, Thioctic acid, dl-form, THERAPEUTIC CATEGORY: Treatment of liver disease, antidote to poisonous mushrooms (Amanita species)., Use (kg, approx.) in Germany (2009): >7500, Consumption (g per capita, approx.) in Germany (2009): 0.0916, Calculated removal (%): 96.4, For nutritional supplementation, also for treating dietary shortage or imbalance., Household Products: Information on 1 consumer products that contain Thioctic Acid in the following categories is provided:, • Personal Care, Methods of Manufacturing: Industrial synthesis of thioctic acid is performed in three stages. Monomethyl or monoethyl adipate is converted into the corresponding acid chloride by reaction with thionyl chloride. Treatment with ethylene in the presence of anhydrous aluminum chloride yields 8-chloro-6-ketooctanoate. In the second stage, this ester is reduced to 8-chloro-6-hydroxyoctanoate by using thionyl chloride in pyridine. In the third stage, the chlorine atoms are replaced by sulfur atoms by treatment with sodium disulfide. Hydrolysis of the resulting dithionooctyl ester formed with alcoholic potassium hydroxide gives thioctic acid., Formulations, Preparations: Oral: Capsules 30 mg Coenzyme Q10, 12-5 mg alpha-Lipoic Acid, Coquinone 30 (USANA Health Sciences Inc)., Coquinone 30, Juvenon: acetyl-L-carnitine and alpha lipoic acid, General Manufacturing Information: Helps the body maintain healthy skeletal and cardiac muscle.
Category: Organic Chemicals.
Independent reference data for thioctic acid (CAS 62-46-4), compiled from public chemistry databases.
| CAS Registry Number | 62-46-4 |
|---|---|
| PubChem CID | 864 |
| Molecular formula | C8H14O2S2 |
| IUPAC name | 5-(dithiolan-3-yl)pentanoic acid |
| UNII (FDA) | 73Y7P0K73Y |
| Molecular Weight | 206.3 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.04352203 |
| Monoisotopic Mass | 206.04352203 |
| Topological Polar Surface Area | 87.9 |
| Heavy Atom Count | 12 |
| Boiling Point | 162.5 |
|---|---|
| Melting Point | 60.5 |
| Melting Point | 47.5-48 °C |
| LogP | 2.1 |
| Dissociation Constants | pKa = 5.10 |
thioctic acid; alpha-Lipoic acid; 6,8-Thioctic acid; Biletan; alpha Lipoic Acid; DL-6,8-Thioctic acid; 5-(dithiolan-3-yl)pentanoic acid; Thioctsan; thioctate; Thiocacid; Thioctan; Tioctic Acid; Acidum thiocticum; A-lipoicum acidum; Lipoic acid, dl-; Lipoic acid, alpha
| GHS notification summary | 6.5% (28 / 430) |
|---|
| GHS notification summary | 6.5% (28 / 430) |
|---|---|
| Reported hazard statements | H302 (93.5%), H315 (48.6%), H317 (46.5%), H319 (47%), H411 (46.5%), H335 (31.7%), H412 (19.5%) |
This chemical does not meet GHS hazard criteria for 6.5% (28 of 430) of reports.
H302 (93.5%): Harmful if swallowed [Warning Acute toxicity, oral]
thioctic acid · CAS 62-46-4 · C8H14O2S2. UNII 73Y7P0K73Y. Boiling Point: 162.5; Melting Point: 60.5; Melting Point: 47.5-48 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硫辛酸