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: 2024-07-15 17:50:29
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 | n |
| 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. |
Computed Descriptors for 2,3-Butanedithiol
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![5,7A-DIHYDRO-4AH-CYCLOPENTA[B][1,3]DITHIOLO[4,5-E][1,4]DITHIINE-2-THIONE](https://img.chemicalbook.in/StructureFile/ChemBookStructure3/GIF/CB1334197.gif)
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