CAS No.623-51-8,ETHYL THIOGLYCOLATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	623-51-8
Name:	ETHYL THIOGLYCOLATE
Article Data:	30

Formula:	C₄H₈O₂S
Molecular Weight:	120.172
Synonyms:	Ethyl mercaptoacetate;Ethyl thioglycolate;Ethyl a-mercaptoacetate;Ethylthiomethyl acetate;Mercaptoacetic acid ethylester;NSC 8834;Sulfanylacetic acid ethyl ester;Thioglycolic acid ethyl ester;Ethyl 2-mercaptoacetate;Ethoxycarbonylmethanethiol;2-Mercaptoacetic acid ethyl ester;Aceticacid, mercapto-, ethyl ester (7CI,8CI,9CI);
EINECS:	210-800-3
Density:	1.072 g/cm³
Melting Point:	-80 °C
Boiling Point:	157.8 °C at 760 mmHg
Flash Point:	47.8 °C
Solubility:	Not miscible or difficult to mix in water.
Appearance:	colourless liquid
Hazard Symbols:	T
Risk Codes:	10-25-36/38
Safety:	26-36/37/39-45
Transport Information:	UN 1992 3/PG 3
PSA:	65.10000
LogP:	0.47930

Synthetic route

: 64-17-5
ethanol

: 68-11-1
mercaptoacetic acid

: 623-51-8
ethyl 2-sulfanylacetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In chloroform esterified azeotropically;	72%
With LEWATIT K2621 In toluene for 72h; Heating;	58%
With magnesium sulfate; toluene-4-sulfonic acid for 16h; Inert atmosphere; Reflux;	36%

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 27032-03-7
1-(ethoxycarbonylmethyl)pyridinium chloride

A: 17281-70-8
pyridinium cyanoi(ethoxycarbonyl)methylide

B: 623-51-8
ethyl 2-sulfanylacetate

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A 63% B n/a

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 42508-60-1
1-(2-oxopropyl)pyridinium chloride

A: 37026-10-1
Cyano-acetyl-pyridinium-methylid

B: 623-51-8
ethyl 2-sulfanylacetate

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A 58% B n/a

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 129170-15-6
1-ethoxycarbonylmethyl-4-methylpyridinium chloride

A: 84802-40-4
C11H12N2O2

B: 623-51-8
ethyl 2-sulfanylacetate

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A 53% B n/a

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 129170-16-7
1-Ethoxycarbonylmethyl-3,5-dimethyl-pyridinium; chloride

A: 84802-41-5
C12H14N2O2

B: 623-51-8
ethyl 2-sulfanylacetate

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A 51% B n/a

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 20517-71-9
1-(2-oxo-2-phenylethyl)pyridin-1-ium chloride

A: 50737-38-7, 17281-69-5
1-(1-cyano-2-oxo-2-phenyl-ethyl)-pyridinium betaine

B: 623-51-8
ethyl 2-sulfanylacetate

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A 45% B n/a

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 129170-17-8
1-acetonyl-3,5-dimethylpyridinium chloride

A: 623-51-8
ethyl 2-sulfanylacetate

B: C11H12N2O

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A n/a B 42%

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 115260-53-2
1-acetonyl-4-methylpyridinium chloride

A: 623-51-8
ethyl 2-sulfanylacetate

B: C10H10N2O

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A n/a B 40%

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 105757-72-0
1-[2-oxo-2-(phenyl)ethyl]-4-methylpyridinium chloride

A: 623-51-8
ethyl 2-sulfanylacetate

B: C15H12N2O

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A n/a B 37%

...Expand

: 5349-28-0
thiocyanato-acetic acid ethyl ester

: 1-phenacyl-3,5-dimethylpyridinium chloride

A: 623-51-8
ethyl 2-sulfanylacetate

B: C16H14N2O

Conditions

Conditions	Yield
With potassium carbonate In chloroform Ambient temperature;	A n/a B 28%

...Expand

Raw Materials

105-39-5

64-17-5

68-11-1

Downstream Products

874-14-6

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Specification

The Acetic acid,2-mercapto-, ethyl ester, with the CAS registry number 623-51-8, is also known as Thioglycolic acid ethyl ester. Its EINECS number is 210-800-3. This chemical's molecular formula is C₄H₈O₂S and molecular weight is 120.17. What's more, its systematic name is ethyl sulfanylacetate. It is air sensitive. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, static electricity and fire. It is used as a reagent to determinate iron content.

Physical properties of Acetic acid,2-mercapto-, ethyl ester are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.66; (6)ACD/BCF (pH 7.4): 4.21; (7)ACD/KOC (pH 5.5): 104.72; (8)ACD/KOC (pH 7.4): 94.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.6 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 30.25 cm³; (15)Molar Volume: 112 cm³; (16)Polarizability: 11.99×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 47.8 °C; (20)Enthalpy of Vaporization: 39.45 kJ/mol; (21)Boiling Point: 157.8 °C at 760 mmHg; (22)Vapour Pressure: 2.7 mmHg at 25°C.

Preparation: this chemical can be prepared by thioglycollicacid and ethanol by heating. This reaction will need solvent sulfuric acid with the reflux time of 24 hours. The product is gained by collecting the cut fraction of the temperature of 155-158 °C at atmospheric fractionation.

Uses of Acetic acid,2-mercapto-, ethyl ester: it can be used to produce (2-cyano-ethylsulfanyl)-acetic acid ethyl ester at the ambient temperature. It will need reagent sodium ethoxide with the reaction time of 14 hours. The yield is about 90%.

Acetic acid,2-mercapto-, ethyl ester can be used to produce (2-cyano-ethylsulfanyl)-acetic acid ethyl ester at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is toxic if swallowed. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
(2)InChIKey: PVBRSNZAOAJRKO-UHFFFAOYSA-N
(3)Canonical SMILES: CCOC(=O)CS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)	National Technical Information Service. Vol. AD277-689.
rat	LD50	intraperitoneal	176mg/kg (176mg/kg)	Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rat	LD50	oral	178mg/kg (178mg/kg)	Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.