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1,2-Ethanedithiol

CAS 540-63-6C2H6S2MW 93.99 g/mol

1,2-Ethanedithiol (CAS 540-63-6) — formula C2H6S2, molecular weight 93.99 g/mol.

Product Overview

CAS Number540-63-6
Molecular FormulaC2H6S2
Molecular Weight93.99 g/mol
Melting Point-41.2 °C
Boiling Point146 °C at 760 mm Hg
LogP0.8

Technical Profile

What this product is

1,2-Ethanedithiol is a chemical compound with CAS registry number 540-63-6 and molecular formula C2H6S2 (molecular weight 93.99 g/mol).

Identification

CAS number: 540-63-6

Its molecular formula C2H6S2 comprises 2 C, 6 H, 2 S atoms.

Also known as: 1,2-Ethanedithiol · Ethylene Mercaptan

Frequently Asked Questions

What is the CAS number of 1,2-Ethanedithiol?

The CAS registry number of 1,2-Ethanedithiol is 540-63-6.

What is the molecular formula and molecular weight of 1,2-Ethanedithiol?

Molecular formula C2H6S2, molecular weight 93.99 g/mol.

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

It is also registered under: 1,2-Ethanedithiol, Ethylene Mercaptan.

PubChem Public Data

Independent reference data for 1,2-Ethanedithiol (CAS 540-63-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number540-63-6
PubChem CID10902
Molecular formulaC2H6S2
Molecular weight93.99 g/mol
IUPAC nameethane-1,2-dithiol
InChIKeyVYMPLPIFKRHAAC-UHFFFAOYSA-N
UNII (FDA)92T634FLAR
FEMA number3484
JECFA number532

Computed descriptors

Molecular Weight94.20
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass93.99109254
Monoisotopic Mass93.99109254
Topological Polar Surface Area2
Heavy Atom Count4

Physicochemical values on record

Boiling Point146 °C at 760 mm Hg
Boiling Point144.00 to 146.00 °C. @ 760.00 mm Hg
Boiling Point146 °C; 46-47 °C (6 mm Hg)
Boiling Point146 °C @760 [mm Hg]
Melting Point-41.2 °C
Density1.123 at 23.5 °C
Density1.123-1.124 (d20/4)
Density1.124 @25 °C
Vapor Pressure5.61 [mmHg]
Vapor Pressure5.68 [mm Hg] @25 °C

Documented uses on record

    Used as a metal-complexing agent; [Hawley]Metal-complexing agent. Reverse inhibition by alpha-keto aldehydes on mitosis in E. coli.

    Synonyms and trade names

    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

    Regulatory listings held on file

    Regulatory & Food ContactEU 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 statementsH226 (94.8%), H301 (23.1%), H302 (76.9%), H310 (14%), H312 (10.1%), H319 (14.3%), H330 (16.6%)

    H226 (94.8%): Flammable liquid and vapor [Warning Flammable liquids]

    H301 (23.1%): Toxic if swallowed [Danger Acute toxicity, oral]

    What the public record says

    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).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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