2,3-butanedithiol

Description

2,3-butanedithiol · CAS 4532-64-3 · C4H10S2. UNII 69G298U39K. Boiling Point: 86.00 to 87.00 °C. @ 50.00 mm Hg; Boiling Point: 69-70 °C (28 mm Hg); Density: 0.997 (20 °C).

Identification

CAS Registry Number	4532-64-3
PubChem CID	548353
Molecular formula	C4H10S2
IUPAC name	butane-2,3-dithiol
UNII (FDA)	69G298U39K
FEMA number	3477
JECFA number	539

Computed Descriptors

Molecular Weight	122.3
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	122.02239267
Monoisotopic Mass	122.02239267
Topological Polar Surface Area	2
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	86.00 to 87.00 °C. @ 50.00 mm Hg
Boiling Point	69-70 °C (28 mm Hg)
Density	0.997 (20 °C)
Refractive Index	1.517-1.527

Physical description & handling notes

• insoluble in water; miscble in fat
• (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 (100%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

2,3-Butanedithiol; 2,3-Dimercaptobutane; butane-2,3-dithiol; FEMA No. 3477; DTXSID5047089; UNII-69G298U39K; EINECS 224-870-8; 69G298U39K; DTXCID3027089; TWWSEEHCVDRRRI-UHFFFAOYSA-; 2,3-BUTANEDITHIOL [FHFI]; 2,3-BUTANEDITHIOL [USP-RS]; 2,3-BUTANEDITHIOL (USP-RS); RefChem:81511; (+-)-2,3-BUTANEDITHIOL; 2,3-BUTANEDITHIOL, (+-)-

Frequently Asked Questions

What are the CAS number and molecular formula of 2,3-butanedithiol?

CAS 4532-64-3; molecular formula C4H10S2; molecular weight — g/mol.

What other names is 2,3-butanedithiol known by?

2,3-Butanedithiol, 2,3-Dimercaptobutane, butane-2,3-dithiol, FEMA No. 3477, DTXSID5047089, UNII-69G298U39K.

What is the regulatory status of 2,3-butanedithiol?

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

Is 2,3-butanedithiol classified as hazardous?

Hazard statements reported: H226.

What are the key physical properties of 2,3-butanedithiol?

Boiling Point: 86.00 to 87.00 °C. @ 50.00 mm Hg; Boiling Point: 69-70 °C (28 mm Hg); Density: 0.997 (20 °C); Refractive Index: 1.517-1.527.

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.