Ethylene Mercaptan

Description

1,2-Ethanedithiol is identified by CAS 540-63-6, molecular formula C2H6S2 and molecular weight 93.99 g/mol. UNII 92T634FLAR; InChIKey VYMPLPIFKRHAAC-UHFFFAOYSA-N. Boiling Point: 146 °C at 760 mm Hg; Boiling Point: 144.00 to 146.00 °C. @ 760.00 mm Hg; Boiling Point: 146 °C; 46-47 °C (6 mm Hg).

Identification

CAS Registry Number	540-63-6
PubChem CID	10902
Molecular formula	C2H6S2
Molecular weight	93.99 g/mol
IUPAC name	ethane-1,2-dithiol
InChIKey	VYMPLPIFKRHAAC-UHFFFAOYSA-N
UNII (FDA)	92T634FLAR
FEMA number	3484
JECFA number	532

Computed Descriptors

Molecular Weight	94.20
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	93.99109254
Monoisotopic Mass	93.99109254
Topological Polar Surface Area	2
Heavy Atom Count	4
Formal Charge	0

Physical & Chemical Properties

Boiling Point	146 °C at 760 mm Hg
Boiling Point	144.00 to 146.00 °C. @ 760.00 mm Hg
Boiling Point	146 °C; 46-47 °C (6 mm Hg)
Boiling Point	146 °C @760 [mm Hg]
Melting Point	-41.2 °C
Density	1.123 at 23.5 °C
Density	1.123-1.124 (d20/4)
Density	1.124 @25 °C
Vapor Pressure	5.61 [mmHg]
Vapor Pressure	5.68 [mm Hg] @25 °C

Physical description & handling notes

• Colorless liquid with an unpleasant repulsive odor; [CHEMINFO]
• Liquid
• clear to light green liquid with pungent, nauseating mercaptan odour
• Freely soluble in alkalies
• Soluble in ethanol, ether, acetone, and benzene; slightly soluble in alkali.
• Soluble in oxygenated solvents

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (94.8%), H301 (23.1%), H302 (76.9%), H310 (14%), H312 (10.1%), H319 (14.3%), H330 (16.6%)

Documented Uses

• Used as a metal-complexing agent; [Hawley]
• Metal-complexing agent. Reverse inhibition by alpha-keto aldehydes on mitosis in E. coli.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Prepared by reacting ethanol, thiourea and ethylene dibromide and subsequent alkaline hydrolysis of the ethylenediisothiuronium bromide.
• Thiols can be prepared by a variety of methods. The most-utilized of these synthetic methods for tertiary and secondary thiols is acid-catalyzed synthesis; for normal and secondary thiols, the most-utilized methods are free-radical-initiated, alcohol substitution, or halide substitution; for mercaptoalcohols, the most-utilized method is oxirane addition; and for mercaptoacids and mercaptonitriles, the most-utilized methods are Michael-type additions. /Thiols/

Synonyms

1,2-ETHANEDITHIOL; 540-63-6; Ethane-1,2-dithiol; 1,2-Dimercaptoethane; Dithioglycol; Ethylene mercaptan; Ethylenedithiol; Ethylene dithioglycol; Ethylene dimercaptan; Ethylenedimercaptan; Dithioethyleneglycol; S-Ethylene dimercaptan; Ethylene glycol, dithio-; 1,2-Dithiol ethane; Ethyl hydropersulfide; FEMA No. 3484

Frequently Asked Questions

What are the CAS number and molecular formula of 1,2-Ethanedithiol?

CAS 540-63-6; molecular formula C2H6S2; molecular weight 93.99 g/mol.

What other names is 1,2-Ethanedithiol known by?

1,2-ETHANEDITHIOL, 540-63-6, Ethane-1,2-dithiol, 1,2-Dimercaptoethane, Dithioglycol, Ethylene mercaptan.

What is the regulatory status of 1,2-Ethanedithiol?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 1,2-Ethanedithiol classified as hazardous?

Hazard statements reported: H226, H301, H302, H310, H312.

What are the key physical properties of 1,2-Ethanedithiol?

Boiling Point: 146 °C at 760 mm Hg; Boiling Point: 144.00 to 146.00 °C. @ 760.00 mm Hg; Boiling Point: 146 °C; 46-47 °C (6 mm Hg); Boiling Point: 146 °C @760 [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.