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| CAS No.: | 123-81-9 |
|---|---|
| Name: | Glycol dimercaptoacetate |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10 O4 S2 |
| Molecular Weight: | 210.275 |
| Synonyms: | Aceticacid, mercapto-, 1,2-ethanediyl ester (9CI); Acetic acid, mercapto-, ethyleneester (6CI,7CI,8CI); Ethylene glycol, bis(mercaptoacetate) (8CI); EGTG; EGTG(polythiol); Ethylene bis(mercaptoacetate); Ethylene glycolbis(2-mercaptoacetate); Ethylene glycol bis(thioglycolate); Ethylene glycolbis(thioglycolic ester); Ethylene mercaptoacetate; Ethylenebis(thioglycolate);Glycol bis(mercaptoacetate); Glycol dimercaptoacetate; Glycol(bisthioglycolate); NSC 30032; PETP |
| EINECS: | 204-653-4 |
| Density: | 1.313 |
| Boiling Point: | 317 ºC |
| Flash Point: | 167 ºC |
| Solubility: | 20 g/L (20 ºC) |
| Appearance: | Clear, colorless liquid. With a stench. |
| Hazard Symbols: |
 
|
| Risk Codes: | R20/21/22;R36/38;R51/53 |
| Safety: | Poison by ingestion. When heated to decomposition it emits toxic fumes of SOx. See also MERCAPTANS. |
| PSA: | 130.20000 |
| LogP: | -0.06760 |
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| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene Heating; | 70% |
| With sulfuric acid at 70 - 80℃; Reagent/catalyst; Temperature; Large scale; |
- 107-21-1
ethylene glycol
- 68-11-1
mercaptoacetic acid
A
- 7380-58-7
mercapto-acetic acid-(2-hydroxy-ethyl ester)
B
- 123-81-9
ethylene glycol dimercaptoacetate
| Conditions | Yield |
|---|---|
| toluene-4-sulfonic acid at 110 - 150℃; for 5h; |
| Conditions | Yield |
|---|---|
| With 2,2-dimethoxy-2-phenylacetophenone In benzene at 50 - 60℃; for 1h; Irradiation; | 96% |
- 123-81-9
ethylene glycol dimercaptoacetate
- 107-02-8
acrolein
- 158199-70-3
Ethylen-bis(6-oxo-3-thiahexanoat)
| Conditions | Yield |
|---|---|
| With triethylamine In chloroform for 12h; Ambient temperature; | 95% |
- 99396-97-1
(AuCl)2(μ-trans-1,2-bis(diphenylphosphino)ethylene)
- 123-81-9
ethylene glycol dimercaptoacetate
- 2966-50-9
silver trifluoroacetate
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane byproducts: AgCl; (darkened flask); addn. of soln. of silver compd. in methanol to soln. of gold compd. in CH2Cl2, stirring for 30 min, filtration through Celite,addn. of dithiol deriv. in CH2Cl2, stirring for 3 h; addn. of pentane, filtration, washing with acetone and ether, elem. anal.; | 93% |
| Conditions | Yield |
|---|---|
| In toluene at 110℃; for 29h; Dean-Stark; | 93% |
| In toluene at 110℃; for 24h; Dean-Stark; | 89% |
- 63640-04-0
1,4-bis(diphenylphosphino)butane digold(I) dichloride
- 123-81-9
ethylene glycol dimercaptoacetate
- 2966-50-9
silver trifluoroacetate
- 909123-30-4
[(CH2OCOCH2SAu)2)(μ-Ph2P(CH2)4PPh2)]
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane byproducts: AgCl; (darkened flask); addn. of soln. of silver compd. in methanol to soln. of gold compd. in CH2Cl2, stirring for 30 min, filtration through Celite,addn. of dithiol deriv. in CH2Cl2, stirring for 3 h; addn. of pentane, filtration, washing with acetone and ether, elem. anal.; | 87% |
- 64659-16-1
Au2Cl2{μ-Ph2P(CH2)6PPh2}
- 123-81-9
ethylene glycol dimercaptoacetate
- 2966-50-9
silver trifluoroacetate
- 909123-32-6
[(CH2OCOCH2SAu)2)(μ-Ph2P(CH2)6PPh2)]
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane byproducts: AgCl; (darkened flask); addn. of soln. of silver compd. in methanol to soln. of gold compd. in CH2Cl2, stirring for 30 min, filtration through Celite,addn. of dithiol deriv. in CH2Cl2, stirring for 3 h; addn. of pentane, filtration, washing with acetone and ether, elem. anal.; | 85% |
| Conditions | Yield |
|---|---|
| With tripropylborane In methanol; hexane; benzene at 20℃; | A 48% B 9% |
- 156842-95-4
MoCl(CO)2(1,10-phenanthroline)(η(3)-CH2C(COCl)C=CH2)
- 75-09-2
dichloromethane
- 123-81-9
ethylene glycol dimercaptoacetate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane (N2); dropwise addn. of dithiol to a soln. of molybdenum complex and amine in CH2Cl2, stirring for 2 h; storage at low temp., filtration, recrystn. (CH2Cl2/petrol), drying in vac.; elem. anal.; | 47% |
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Chemistry
IUPAC: 2-(2-Sulfanylacetyl)oxyethyl 2-sulfanylacetate
Mercapto di-acetic acid, ethylene ester (123-81-9) is also called for AI3-26087 ; Acetic acid, mercapto-, 1,2-ethanediyl ester ; BRN 1948305 ; EINECS 204-653-4 ; Ethylene bis(mercaptoacetate) ; Ethylene bis(thioglycolate) ; Ethylene glycol bis(mercaptoacetate) ; Ethylene glycol bis(thioglycolate) ; Ethylene glycol bis(thioglycolic ester) ; Ethylene mercaptoacetate ; Ethylenebis(thioglycolate) ; GDMA ; Glycol bis(mercaptoacetate) ; Glycol dimercaptoacetate ; NSC 30032 ; Acetic acid, 2-mercapto-, 1,1'-(1,2-ethanediyl) ester ; Ethylene di(S-thioacetate) and so on.
Molecular Weight: 210.27
Molecular Formula: C6H10O4S2
EINECS: 204-653-4
LogP: ACD/LogP: 0.90
XLogP: 0.60
ALOGPS: 0.75
ACD/LogD (pH 5.5): 0.89
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 5.5): 2.8
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 5.5): 72.7
ACD/KOC (pH 7.4): 48.95
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 9
Index of Refraction: 1.516
Molar Refractivity: 49.18 cm3
Molar Volume: 162.6 cm3
Surface Tension: 46.2 dyne/cm
Density: 1.292 g/cm3
Flash Point: 242.1°C
Enthalpy of Vaporization: 55.84 kJ/mol
Boiling Point: 317.1°C at 760 mmHg
Vapour Pressure: 0.000394 mmHg at 25°C
The appearance of Mercapto di-acetic acid, ethylene ester (123-81-9) is clear liquid.
The molecular structure of Mercapto di-acetic acid, ethylene ester (123-81-9):
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 50mg/kg (50mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0546402, |
| rat | LD50 | oral | 330mg/kg (330mg/kg) | International Tin Research Institute Publication. Vol. 538, Pg. 17, 1978. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion. When heated to decomposition it emits toxic fumes of SOx. See also MERCAPTANS.
Hazard Codes: Xn
,N 
Risk Statements: 22-36/37/38-51/53-36/38-20/21/22
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/38:Irritating to eyes and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-57-36/37/39-29
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S57:Use appropriate container to avoid environmental contamination.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S29:Do not empty into drains.
RIDADR: 2810
WGK Germany: 2
RTECS: AI6600000
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29309070
Specification
1.Treatment of Mercapto di-acetic acid, ethylene ester (123-81-9) in Wastewater :
Total removal:1.85 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.76 percent
Total to air:0.00 percent
(using 10000 hr Bio P,A,S)
2. Handling and Storage
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.
3.Fire Fighting Measures
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.