2,3-Butanedithiol

Synonym(s):2,3-Dimercaptobutane

CAS NO.：4532-64-3
Empirical Formula: C4H10S2
Molecular Weight: 122.25
MDL number: MFCD00010024
EINECS: 224-870-8
SAFETY DATA SHEET (SDS)
Update Date: 2026-05-27 22:42:34

What is 2,3-Butanedithiol?

Chemical properties

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

The Uses of 2,3-Butanedithiol

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).

Properties of 2,3-Butanedithiol

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)
Specific Gravity	0.995
color	Colorless to Light yellow to Light orange
Odor	at 0.10 % in propylene glycol. meaty beefy
JECFA Number	539
CAS DataBase Reference	4532-64-3(CAS DataBase Reference)
EPA Substance Registry System	2,3-Butanedithiol (4532-64-3)

Safety information for 2,3-Butanedithiol

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P370+P378:In case of fire: Use … for extinction.