2,3-二巯基-1-丙醇

Description

2,3-Dimercapto-1-propanol · CAS 59-52-9 · C3H8OS2. UNII 0CPP32S55X. Boiling Point: 248 °F at 15 mmHg (NTP, 1992); Boiling Point: 140; Boiling Point: BP: 68-69 °C at 0.0001 mm Hg; 83 °C at 0.8 mm Hg.

Identification

CAS Registry Number	59-52-9
PubChem CID	3080
Molecular formula	C3H8OS2
IUPAC name	2,3-bis(sulfanyl)propan-1-ol
UNII (FDA)	0CPP32S55X

Computed Descriptors

Molecular Weight	124.23
XLogP3	0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	124.00165722
Monoisotopic Mass	124.00165722
Topological Polar Surface Area	22.2
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	248 °F at 15 mmHg (NTP, 1992)
Boiling Point	140
Boiling Point	BP: 68-69 °C at 0.0001 mm Hg; 83 °C at 0.8 mm Hg
Boiling Point	BP: 120 °C at 15 mm Hg
Melting Point	< 25 °C
Melting Point	77 °C
Solubility	10 to 50 mg/mL at 68 °F (NTP, 1992)
Solubility	87000
Density	1.2385 at 25 °C/4 °C
Vapor Density	4.3 (Air = 1)

Physical description & handling notes

• 2,3-dimercapto-1-propanol is a clear colorless viscous liquid with a pungent offensive odor of mercaptans. Used as a medicine and an antidote to the chemical warfare agent LEWISITE.
• Clear to slightly yellow liquid with a pungent odor; [HSDB] Viscous oily liquid; [Merck Index] Strong, offensive odor; [MSDSonline]
• Solid
• Viscous oily liquid
• Colorless
• Pungent offensive odor of mercaptans

GHS Hazard Classification

Reported hazard statements	H301 (94.1%), H315 (98%), H317 (13.7%), H319 (98%), H335 (80.4%)

Documented Uses

• Used as a chelating agent to treat arsenic, gold, and mercury poisoning; First used as an antidote to the warfare agent Lewisite; [HSDB]
• Antidote to Lewisite, organic arsenicals
• THERAPEUTIC CATEGORY: Antidote (heavy metal poisoning)
• THERAPEUTIC CATEGORY (VET): Antidote (heavy metal poisoning)
• A methanol solution of NaOH is saturated with hydrogen sulfide, resulting in the formation fo sodium hydrogen sulfide (NaSH). 2,3-Dibromopropanol is added and the mixture heated at 40 deg under pressure.
• Prepd by bromination of allyl alcohol to glycerol dibromohydrin followed by reaction with sodium hydrosulfide under pressure. Also prepd by hydrogenation of hydroxypropylene trisulfide: US patent 2,402,665 (1946 to Du Pont). Stereospecific synth: Anisuzzaman, Owen, J Chem Soc (c) 1967, 1021.

Synonyms

DIMERCAPROL; 2,3-Dimercapto-1-propanol; 59-52-9; 2,3-Dimercaptopropanol; Sulfactin; Dithioglycerine; Dicaptol; 1,2-Dithioglycerol; 2,3-Dithiopropanol; British Anti-Lewisite; dimercaptopropanol; Antoxol; Dimersol; Panobal; British antilewisite; Dithioglycerol

Frequently Asked Questions

What are the CAS number and molecular formula of 2,3-Dimercapto-1-propanol?

CAS 59-52-9; molecular formula C3H8OS2; molecular weight — g/mol.

What other names is 2,3-Dimercapto-1-propanol known by?

DIMERCAPROL, 2,3-Dimercapto-1-propanol, 59-52-9, 2,3-Dimercaptopropanol, Sulfactin, Dithioglycerine.

Is 2,3-Dimercapto-1-propanol classified as hazardous?

Hazard statements reported: H301, H315, H317, H319, H335.

What are the key physical properties of 2,3-Dimercapto-1-propanol?

Boiling Point: 248 °F at 15 mmHg (NTP, 1992); Boiling Point: 140; Boiling Point: BP: 68-69 °C at 0.0001 mm Hg; 83 °C at 0.8 mm Hg; Boiling Point: BP: 120 °C at 15 mm Hg.

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.