| Identification | More | [Name]
2,3-Butanedithiol | [CAS]
4532-64-3 | [Synonyms]
1,4-DIMERCAPTOBUTANE
2,3-BUTANEDITHIOL
2,3-DIMERCAPTOBUTANE
FEMA 3477
2,3-Butandithiol
butane-2,3-dithiol
2,3-BUTANEDITHIOL, 97+%
2 3-BUTANEDITHIOL 99+%
Butanedithiol
Butan-2,3-dithiol
2,3-BUTANEDITHIOL FEMA NO.3477
1,2-Dimethyl-1,2-ethanedithiol
2,3-Butanebisthiol
2,3-Butanedithiole | [EINECS(EC#)]
224-870-8 | [Molecular Formula]
C4H10S2 | [MDL Number]
MFCD00010024 | [Molecular Weight]
122.25 | [MOL File]
4532-64-3.mol |
| Chemical Properties | Back Directory | [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)
| [FEMA ]
3477 | [refractive index ]
n20/D 1.5194(lit.)
| [Fp ]
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 | [biological source]
synthetic | [Odor Type]
sulfurous | [JECFA Number]
539 | [Major Application]
flavors and fragrances | [InChI]
1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3 | [InChIKey]
TWWSEEHCVDRRRI-UHFFFAOYSA-N | [SMILES]
CC(S)C(C)S | [LogP]
2.004 (est) | [CAS DataBase Reference]
4532-64-3(CAS DataBase Reference) | [EPA Substance Registry System]
4532-64-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H315-H319-H335 | [Precautionary statements ]
P210-P305+P351+P338-P370+P378 | [Hazard Codes ]
Xn | [Risk Statements ]
R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 3336 3/PG 3
| [WGK Germany ]
3
| [TSCA ]
TSCA listed | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29309090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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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