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Calcium thioglycolate

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Name

Calcium thioglycolate

EINECS 212-402-5
CAS No. 814-71-1 Density 1.311 g/cm3
PSA 157.86000 LogP -2.66780
Solubility soluble H2O [MER06] Melting Point -16.5oC
Formula C2H4O2S.1/2Ca Boiling Point 225.5 °C at 760 mmHg
Molecular Weight 99.12 Flash Point 99.8 °C
Transport Information N/A Appearance White powder with an unpleasant odor.
Safety 26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 814-71-1 (Calcium thioglycolate) Hazard Symbols HarmfulXn
Synonyms

Aceticacid, mercapto-, calcium salt (2:1) (8CI,9CI);Calciumthioglycollate;Depil;Ebacream;Jully;Surgex;Vikor;

 

Calcium thioglycolate Specification

The cas register number of Calcium thioglycolate is 814-71-1. It also can be called as 1Mercaptoacetic acid calcium derivative and the Systematic name about this chemical is calcium 2-sulfanylacetate.

Physical properties about Calcium thioglycolate are: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.6Å2; (13)Flash Point: 99.8 °C; (14)Enthalpy of Vaporization: 50.9 kJ/mol; (15)Boiling Point: 225.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0314 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and Irritating to eyes, respiratory system and skin. If people in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1.SMILES: [Ca+2].O=C([O-])CS.[O-]C(=O)CS
2.InChI: InChI=1/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2 
3.InChIKey: CNYFJCCVJNARLE-NUQVWONBAR
4.Std. InChI: InChI=1S/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2.

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