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Basic Information
CAS No.: 629-45-8
Name: Butyl disulfide
Article Data: 188
Molecular Structure:
Molecular Structure of 629-45-8 (Butyl disulfide)
Formula: C8H18S2
Molecular Weight: 178.363
Synonyms: Butyldisulfide (6CI,8CI);5,6-Dithiadecane;Di-n-butyl disulfide;Dibutyl disulfide;NSC 36626;n-Butyl disulfide;Butyl Disulfide;
EINECS: 211-091-3
Density: 0.946 g/cm3
Melting Point: -94 °C
Boiling Point: 226 °C at 760 mmHg
Flash Point: 93.3 °C
Solubility: Immiscible in water
Appearance: clear colourless to very slightly brown liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-7/9-37/39
PSA: 50.60000
LogP: 3.96800
Synthetic route
109-79-5

1-butanethiol

629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 0.166667h;100%
With oxygen; vanadium(V) oxychloride In ethyl acetate at 20℃; for 3h;100%
With water; bromine; silica gel In dichloromethane99%
109-65-9

1-bromo-butane

629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With piperidinium thiotungstate In N,N-dimethyl-formamide at 25℃; for 1h;99%
With benzyltriethylammonium tetrathiomolybdate In chloroform for 10h; Ambient temperature;96%
With potassium 5-methyl-1,3,4-oxadiazole-2-thiolate In water at 25℃; for 1h;94%
109-79-5

1-butanethiol

602-60-8

9-nitroanthracene

A

629-45-8

dibutyl disulfide

B

74851-72-2

9-Butylmercapto-anthracen

Conditions
ConditionsYield
In ammonia at 60℃; for 5h;A n/a
B 94%
542-69-8

1-iodo-butane

629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With 1,2-bis(5-methylisoxazol-3-yl)hydrazine; sodium carbonate; thiourea In water; acetonitrile at 80℃; for 3h;93%
With sodium sulfide; sulfur In chloroform; water at 25℃; for 2h;91%
With (C6H5CH2N(Et)3)6Mo7S24 In chloroform at 20℃; for 8h;89%

sodium 4-(n-butyldithio)butanesulfinate

A

629-45-8

dibutyl disulfide

B

34915-82-7

disodium 4,4'-dithiobis(butanesulfinate)

Conditions
ConditionsYield
With water at 25℃; for 48h;A n/a
B 92%
107-03-9

1-thiopropane

629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With magnetic ion exchanged Montmorillonite-k10 In tetrahydrofuran at 50℃; for 1h; Green chemistry;91%
15459-87-7

thionitrous acid S-butyl ester

629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With air In hexane at 20℃; for 0.0833333h;90%
In dichloromethane at 20℃; for 1h; Elimination; dimerization;
109-79-5

1-butanethiol

5675-04-7

1-butanesulfinic acid

629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With chloro-trimethyl-silane In chloroform for 1h; Ambient temperature;89%

11-(4-Dimethylamino-2-methoxy-phenyl)-5,8,9,10,11,12-hexahydro-6H-7,12-diaza-cyclonona[a]indene-7,11-dicarboxylic acid 11-methyl ester 7-phenyl ester

A

629-45-8

dibutyl disulfide

B

5,8,9,10,11,12-Hexahydro-6H-7,12-diaza-cyclonona[a]indene-7,11-dicarboxylic acid 11-methyl ester 7-phenyl ester

Conditions
ConditionsYield
With hydrogenchloride; n-butanethiol In methanol at 65℃; the chemical activities of various vinblastine models toward thiols;A n/a
B 89%
542-69-8

1-iodo-butane

17356-08-0

thiourea

629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With sodium carbonate In water; acetonitrile at 80℃; for 3h;88%
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  • Disulfide, dibutyl

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    Disulfide, dibutyl

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  • Dibutyl disulfide

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  • Butyl disulfide

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    629-45-8

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  • Butyl disulfide cas  629-45-8

  • Casno:

    629-45-8

    Butyl disulfide cas 629-45-8

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  • Butyl disulfide

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    629-45-8

    Butyl disulfide

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  • Butyl Disulfide manufacturer

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    629-45-8

    Butyl Disulfide manufacturer

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  • Butyl disulfide

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    629-45-8

    Butyl disulfide

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  • 629-45-8           C8H18S2         Butyl disulfide

  • Casno:

    629-45-8

    629-45-8 C8H18S2 Butyl disulfide

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    Butyl disulfide Basic information Product Name: Butyl disulfide Synonyms: (n-C4H9S)2;1-(Butyldisulfanyl)butane;5,6-Dithiadecane;disulfide,dibutyl;N-BUTYL DISULFIDE;

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  • Disulfide, dibutyl 629-45-8

  • Casno:

    629-45-8

    Disulfide, dibutyl 629-45-8

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Specification

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