thioctic acid

Description

thioctic acid · CAS 62-46-4 · C8H14O2S2. UNII 73Y7P0K73Y. Boiling Point: 162.5; Melting Point: 60.5; Melting Point: 47.5-48 °C.

Identification

CAS Registry Number	62-46-4
PubChem CID	864
Molecular formula	C8H14O2S2
IUPAC name	5-(dithiolan-3-yl)pentanoic acid
UNII (FDA)	73Y7P0K73Y

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

Boiling Point	162.5
Melting Point	60.5
Melting Point	47.5-48 °C
LogP	2.1
Dissociation Constants	pKa = 5.10

Physical description & handling notes

• Forms yellowish flakes
• Insoluble
• Yellow powder; solubility in ethanol: 50 mg/mL /Synthetic, oxidized form/
• Soluble in methanol, ethanol, diethyl ether and chloroform
• When heated to decomposition, material mits toxic fumes of /sulfur oxides/.
• 133.8 Ų [M+H-H2O]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Regulatory Status

GHS notification summary	6.5% (28 / 430)

GHS Hazard Classification

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%)

Documented 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
• For nutritional supplementation, also for treating dietary shortage or imbalance.
• Information on 1 consumer products that contain Thioctic Acid in the following categories is provided:

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of thioctic acid?

CAS 62-46-4; molecular formula C8H14O2S2; molecular weight — g/mol.

What other names is thioctic acid known by?

thioctic acid, alpha-Lipoic acid, 6,8-Thioctic acid, Biletan, alpha Lipoic Acid, DL-6,8-Thioctic acid.

Is thioctic acid classified as hazardous?

6.5% of GHS notifications report no hazard classification (28 of 430).

What are the key physical properties of thioctic acid?

Boiling Point: 162.5; Melting Point: 60.5; Melting Point: 47.5-48 °C; LogP: 2.1.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.