2,3-Butanedithiol Chemical Properties

Melting point:

-53.9°C (estimate)

Boiling point:

86-87 °C/50 mmHg (lit.)

Density 

0.995 g/mL at 25 °C (lit.)

vapor density 

>1 (vs air)

refractive index 

n20/D 1.5194(lit.)

FEMA 

3477 | 2,3-BUTANEDITHIOL

Flash point:

126 °F

form 

liquid (estimate)

pka

9.93±0.10(Predicted)

color 

Colorless to Light yellow to Light orange

Specific Gravity

0.995

Odor

at 0.10 % in propylene glycol. meaty beefy

Odor Type

sulfurous

JECFA Number

539

LogP

2.004 (est)

CAS DataBase Reference

4532-64-3(CAS DataBase Reference)

EPA Substance Registry System

2,3-Butanedithiol (4532-64-3)

Safety Information

Hazard Codes 

Xn

Risk Statements 

10-22-36/37/38

Safety Statements 

16-26

RIDADR 

UN 3336 3/PG 3

WGK Germany 

3

HazardClass 

3.2

PackingGroup 

III

HS Code 

29309090

MSDS

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2,3-Butanedithiol Usage And Synthesis

Description

2,3-Butanedithiol is an organic compound that falls into the category of alkylthiols, which are characterized by a thiol functional group attached to an alkyl chain. This colorless liquid has a distinctive broth-like aroma. Known for its beefy and meaty flavor, 2,3-Butanedithiol is commonly utilized as a synthetic flavoring agent in the food industry.

Chemical Properties

Light yellow transparent liquid. It is meaty, coffee, and garlicky. Boiling point 69~70℃(3732Pa). Insoluble in water, miscible in oil.

Uses

2,3-Butanedithiol is a food spice used in roast beef, salami, coffee and more.

Definition

ChEBI: 2,3-Butanedithiol is an alkanethiol.

Structure and conformation

The conformational landscape of 2,3-butanedithiol may be rationalized as the 2,3-diol analogue. Briefly, the two tetrahedral stereogenic centers at the central (2,3) carbons produce two pairs of homochiral (R,R and S,S) and heterochiral (R,S and S,R) or meso stereoisomers, which, unlike in other techniques, can be easily distinguished by their rotational spectrum[1].

References

[1] A, Marcos Juanes , et al. "Chirality, Structure and Hydrogen Bonding in Dithiols: Rotational Spectrum of the Chiral and Meso 2,3-Butanedithiol." Journal of Molecular Structure (2021).

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