Disulfide, dibutyl (629-45-8)

The IUPAC name of Butyl disulfide is 1-(butyldisulfanyl)butane. With the CAS registry number 629-45-8, it is also named as n-Butyl disulfide. The product's EINECS is 211-091-3. It should be stored in sealed container and placed in cool and dry place which is away from oxidizing agents and fire. In addition, it is clear colourless to very slightly brown liquid. Its molecular formula is C₈H₁₈S₂ and molecular weight is 178.35. And the chemical is immiscible in water.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 3452.68; (6)ACD/BCF (pH 7.4): 3452.68; (7)ACD/KOC (pH 5.5): 11863.34; (8)ACD/KOC (pH 7.4): 11863.34; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 55.1 cm³; (15)Molar Volume: 188.5 cm³; (16)Polarizability: 21.84×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 93.3 °C; (20)Melting Point: -94 °C; (21)Enthalpy of Vaporization: 44.37 kJ/mol; (22)Boiling Point: 226 °C at 760 mmHg; (23)Vapour Pressure: 0.126 mmHg at 25 °C.

Preparation of Butyl disulfide: this chemical can be prepared by Butane-1-thiol and Butane-1-sulfinic acid.



This reaction needs reagent chlorotrimethylsilane and CHCl₃ at ambient temperature. The reaction time is 1 hour. The yield is 89 %.

Uses of Butyl disulfide: it can reacts with Dimethyldisulfane to get Butyl-methyl-disulfane.



This reaction needs NO, air and CD₃CN at temperature of 20 °C. The reaction time is 1 hour. The yield is 40 %.

When you are using this chemical, please be cautious about it as the following: this chemical is irritating to eyes, respiratory system and skin. When you use it, please wear suitable protective clothing, gloves and eye/face protection, and keep container tightly closed and in a well-ventilated place. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
SMILES:S(SCCCC)CCCC
InChI:InChI=1/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
InChIKey:CUDSBWGCGSUXDB-UHFFFAOYAU
Std. InChI:InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
Std. InChIKey:CUDSBWGCGSUXDB-UHFFFAOYSA-N