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| CAS No.: | 627-04-3 |
|---|---|
| Name: | (ETHYLTHIO)ACETIC ACID |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C4H8O2S |
| Molecular Weight: | 120.172 |
| Synonyms: | Aceticacid, (ethylthio)- (7CI,8CI,9CI);(Ethylmercapto)acetic acid;2-(Ethylthio)acetic acid;Carboxymethyl ethyl sulfide;Ethylthioacetic acid;NSC 75118;S-(Carboxymethyl)ethyl mercaptan; |
| EINECS: | 210-979-8 |
| Density: | 1.164 g/cm3 |
| Melting Point: | -8.5℃ |
| Boiling Point: | 229 °C at 760 mmHg |
| Flash Point: | 92.3 °C |
| Hazard Symbols: | R34:Causes burns.; |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 62.60000 |
| LogP: | 0.82410 |
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- Total:31 Page 1 of 1 1
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Specification
The Acetic acid,2-(ethylthio)-, with the CAS registry number 627-04-3, is also known as S-(Carboxymethyl)ethyl mercaptan. Its EINECS registry number is 210-979-8. This chemical's molecular formula is C4H8O2S and molecular weight is 120.17. Its IUPAC name is called 2-ethylsulfanylacetic acid. What's more, the product should be sealed and stored in cool, dry and well-ventilated place. What's more, it should be protected from strong oxides.
Physical properties of Acetic acid,2-(ethylthio)-: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): -0.96; (3)ACD/LogD (pH 7.4): -2.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.24; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 30.14 cm3; (13)Molar Volume: 103.1 cm3; (14)Surface Tension: 42.7 dyne/cm; (15)Density: 1.164 g/cm3; (16)Flash Point: 92.3 °C; (17)Enthalpy of Vaporization: 51.29 kJ/mol; (18)Boiling Point: 229 °C at 760 mmHg; (19)Vapour Pressure: 0.0254 mmHg at 25°C.
Uses of Acetic acid,2-(ethylthio)-: it can be used to produce ethanesulfonyl-acetic acid. This reaction will need reagents H2O2 and glacial acetic acid.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCSCC(=O)O
(2)InChI: InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
(3)InChIKey: VJIKFWJCVWFZIN-UHFFFAOYSA-N