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| CAS No.: | 57267-78-4 |
|---|---|
| Name: | Ammonium 2-hydroxyethanesulphonate |
| Molecular Structure: | |
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|
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| Formula: | C2H9NO4S |
| Molecular Weight: | 143.164 |
| Synonyms: | Ethanesulfonicacid, 2-hydroxy-, monoammonium salt (9CI);Ammonium isethionate;Isethionic acid ammonium salt; |
| EINECS: | 260-656-0 |
| Density: | 1.625g/cm3 |
| Melting Point: | 138-141 °C |
| Boiling Point: | 418.9 °C at 760 mmHg |
| Flash Point: | 207.2 °C |
| Appearance: | White crystal |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-40 |
| Safety: | 26-36-22 |
| PSA: | 86.22000 |
| LogP: | 0.27120 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The systematic name of Ammonium isethionate is ammonium 2-hydroxyethanesulfonate. With the CAS registry number 57267-78-4 and EINECS 260-656-0, it is also named as 2-Hydroxyethanesulfonic acid ammonium salt. The classification code is Skin / Eye Irritant. It is white crystal whic is highly toxic. When heated to decomposition it emits toxic fumes of SOx, NH3, and NOx. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.95; (4)ACD/LogD (pH 7.4): -6.02; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 71.98 Å2; (13)Enthalpy of Vaporization: 77.69 kJ/mol; (14)Boiling Point: 418.9 °C at 760 mmHg; (15)Vapour Pressure: 9E-09 mmHg at 25°C.
Uses of Ammonium isethionate: It can react with 4,4'-pentanediyldioxy-bis-benzimidic acid diethyl ester to get pentamidine isetionate. This reaction needs solvents H2O and ethanol at temperature of 45 - 50 °C. The reaction time is 24 hours. The yield is 83%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. And it has limited evidence of a carcinogenic effect. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:[O-]S(=O)(=O)CCO.[NH4+]
2. InChI:InChI=1/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3
3. InChIKey:LLOHIFXFHGMBNO-UHFFFAOYAY