CAS No.111-48-8,2,2'-Thiodiethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	111-48-8
Name:	2,2'-Thiodiethanol
Article Data:	56

Formula:	C₄H₁₀O₂S
Molecular Weight:	122.188
Synonyms:	Ethanol,2,2'-thiodi- (6CI,8CI);1,5-Dihydroxy-3-thiapentane;2,2'-Dihydroxydiethylsulfide;2,2'-Thiobisethanol;2,2'-Thiodiglycol;3-Thiapentane-1,5-diol;Bis(2-hydroxyethyl) sulfide;Bis(2-hydroxyethyl)thioether;Bis(b-hydroxyethyl)sulfide;Di(2-hydroxyethyl) sulfide;Diethanol sulfide;Kromfax Solvent;NSC6289;Tedegyl;Thiodiethylene glycol;Thiodiglycol;b,b'-Dihydroxydiethyl sulfide;b,b'-Dihydroxyethyl sulfide;b-Thiodiglycol;
EINECS:	203-874-3
Density:	1.18 g/cm³
Melting Point:	-16 ºC(lit.)
Boiling Point:	282 ºC at 760 mmHg
Flash Point:	139.5 ºC
Appearance:	colourless liquid with characteristic odour
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	23-26-36/37/39-45
PSA:	65.76000
LogP:	-0.29580

Synthetic route

: 75-21-8
oxirane

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
With hydrogen sulfide at 20℃; Temperature;	99.5%
With hydrogen sulfide

: 60-24-2
2-hydroxyethanethiol

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
With dihydrogen peroxide In ethanol; water at 20℃; for 0.0833333h; Green chemistry;	98%
With dihydrogen peroxide In ethanol at 20℃; for 0.5h; Green chemistry;	97%
With dihydrogen peroxide In ethanol at 20℃; for 1h; Catalytic behavior; Reagent/catalyst; Green chemistry; chemoselective reaction;	90%
With dihydrogen peroxide In neat (no solvent, solid phase) at 20℃; for 0.583333h; Catalytic behavior; Green chemistry;	76%
With dihydrogen peroxide In water at 20℃; for 0.1h; Rate constant; Mechanism; Thermodynamic data; ΔH(excit.), ΔS(excit.), stoichiometry, various pH, various concentrations;

: 96-49-1
[1,3]-dioxolan-2-one

: 60-24-2
2-hydroxyethanethiol

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
at 120 - 125℃;
With potassium carbonate In neat (no solvent) at 120℃; for 0.29h; Catalytic behavior; Temperature;

: 505-60-2
bis (2-chloroethyl) sulphide

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
With water; zinc(II) oxide
With water In ethanol Kinetics;

: 60-24-2
2-hydroxyethanethiol

: 107-07-3
2-chloro-ethanol

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
With sodium carbonate

: 107-07-3
2-chloro-ethanol

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
With potassium hydrosulfide at 0℃;
With sodium hydrogensulfide at 25℃;
With sodium sulfide; water Darstellung;
With potassium sulfide; water
With sodium sulfide; water

: 75-21-8
oxirane

: 60-24-2
2-hydroxyethanethiol

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
With triethylamine at 15℃; Rate constant; Mechanism; Thermodynamic data; other temperature, E(a);

: 693-30-1
mustard chlorohydrin

: 111-48-8
2,2'-thiobis-ethanol

Conditions

Conditions	Yield
With water In ethanol at 25℃; Rate constant; further solvents, var. water concentration; charge separation in the transition state;
With water

: 505-60-2
bis (2-chloroethyl) sulphide

A: 111-48-8
2,2'-thiobis-ethanol

B: 64036-92-6
bis-(2-hydroxy-ethyl)-[2-(2-hydroxy-ethylsulfanyl)-ethyl]-sulfonium

C: C12H28O4S3(2+)

Conditions

Conditions	Yield
In water Title compound not separated from byproducts;

...Expand

: 64036-92-6
bis-(2-hydroxy-ethyl)-[2-(2-hydroxy-ethylsulfanyl)-ethyl]-sulfonium

A: 111-48-8
2,2'-thiobis-ethanol

B: 693-30-1
mustard chlorohydrin

C: 505-60-2
bis (2-chloroethyl) sulphide

Conditions

Conditions	Yield
With hydrogenchloride In water Product distribution; Mechanism;	A 25.3 % Chromat. B 64.8 % Chromat. C 3.8 % Chromat.

...Expand

Raw Materials

505-60-2

7783-06-4

96-49-1

288-32-4

63918-89-8

693-30-1

7722-84-1

64-17-5

Downstream Products

15980-15-1

87220-53-9

66346-01-8

627-51-0

79-34-5

2387-23-7

123-93-3

76-01-7

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The β-Thiodiglycol, with the CAS registry number 111-48-8, is also known as 2,2'-Sulfanediyldiethanol. It belongs to the product category of Organics. Its EINECS registry number is 203-874-3. This chemical's molecular formula is C₄H₁₀O₂S and molecular weight is 122.19. What's more, its IUPAC name is called 2-(2-Hydroxyethylsulfanyl)ethanol. β-Thiodiglycol is a viscous, clear to pale-yellow liquid. It is used as a solvent in a variety of applications ranging from dyeing textiles to inks in some ballpoint pens. In chemical synthesis, the production is used as a building block for protection products, dispersants, fibers, plasticizers, rubber accelerators, pesticides, dyes, and various other organic chemicals. In the manufacture of polymers, this chemical is used as a chain transfer agent. As an antioxidant, it is used as an additive in lubricants.

Physical properties about β-Thiodiglycol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.75; (5)ACD/KOC (pH 7.4): 9.75; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 65.76 Å²; (10)Index of Refraction: 1.523; (11)Molar Refractivity: 31.64 cm³; (12)Molar Volume: 103.5 cm³; (13)Surface Tension: 50 dyne/cm; (14)Density: 1.18 g/cm³; (15)Flash Point: 139.5 °C; (16)Enthalpy of Vaporization: 60.45 kJ/mol; (17)Boiling Point: 282 °C at 760 mmHg; (18)Vapour Pressure: 0.000407 mmHg at 25 °C.

Preparation of β-Thiodiglycol: this chemical can be prepared by Chlorohydrin with Sodium sulfide. This reaction needs reagent sulfuric acid at temperature of 90-95 °C.

2CH₂Cl-CH₂OH + Na₂S → (CH₂CH₂OH)₂S + 2NaCl

Uses of β-Thiodiglycol: it is used to produce other chemicals. For example, it can react with Methanol to get Bis-(2-methoxy-ethyl)-sulfane. The reaction occurs with reagent p-Toluenesulfonic acid monohydrate at temperature of 150 °C. The reaction time is 10 hours. The yield is 66 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCSCCO
(2) InChI: InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
(3) InChIKey: YODZTKMDCQEPHD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	3960mg/kg (3960mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
mouse	LD50	subcutaneous	4gm/kg (4000mg/kg)	GASTROINTESTINAL: OTHER CHANGES LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" ENDOCRINE: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rabbit	LD50	intravenous	3gm/kg (3000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rabbit	LD50	skin	20mL/kg (20mL/kg)		Union Carbide Data Sheet. Vol. 11/3/1971,
rat	LD50	oral	6610mg/kg (6610mg/kg)		Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
rat	LD50	subcutaneous	4gm/kg (4000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.