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Cas Database |
| Name |
4-Methylphenylthioacetic acid |
EINECS | N/A | ||||||
| CAS No. | 3996-29-0 | Density | 1.23g/cm3 | ||||||
| PSA | 62.60000 | LogP | 2.17170 | ||||||
| Solubility | N/A | Melting Point |
79-83 °C(lit.) |
||||||
| Formula | C9H10 O2 S | Boiling Point | 323.2°Cat760mmHg | ||||||
| Molecular Weight | 182.243 | Flash Point | 149.3°C | ||||||
| Transport Information | N/A | Appearance | N/A | ||||||
| Safety |
|
Risk Codes | N/A | ||||||
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
Aceticacid, (p-tolylthio)- (6CI,7CI,8CI); Acetic acid, [(4-methylphenyl)thio]- (9CI);(p-Methylphenyl)thioacetic acid; (p-Tolylthio)acetic acid; NSC 75126;S-(p-Methylphenyl)mercaptoacetic acid; [(4-Methylphenyl)thio]acetic acid |
Article Data | 34 |
4-Methylphenylthioacetic acid Chemical Properties
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IUPAC Name: 2-(4-methylphenyl)sulfanylacetic acid
Molecular Formula: C9H10O2S
Molecular Weight: 182.24 g/mol
Canonical SMILES: CC1=CC=C(C=C1)SCC(=O)O
InChI: InChI=1S/C9H10O2S/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
Mol File: 3996-29-0.mol
Product Categories: Organic acids
XLogP3: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 182.04015
MonoIsotopic Mass: 182.04015
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Complexity: 151
Index of Refraction: 1.596
Molar Refractivity: 50.29 cm3
Molar Volume: 147.7 cm3
Polarizability: 19.93×10-24cm3
Surface Tension: 51.9 dyne/cm
Density: 1.23 g/cm3
Flash Point: 149.3 °C
Enthalpy of Vaporization: 59.66 kJ/mol
Boiling Point: 323.2 °C at 760 mmHg
Melting Point: 79-83 °C
Vapour Pressure of 4-Methylphenylthioacetic acid (CAS NO.3996-29-0): 0.000109 mmHg at 25 °C
4-Methylphenylthioacetic acid Safety Profile
Hazard Codes: 
Xi
WGK Germany: 3
Hazard Note of 4-Methylphenylthioacetic acid (CAS NO.3996-29-0): Irritant
4-Methylphenylthioacetic acid Specification
4-Methylphenylthioacetic acid (CAS NO.3996-29-0), its Synonyms are 4-Methyl phenyl thioacetic ; 2-(P-tolylthio)acetic acid ; 4-Methylphenylthioacetic acid 98% ; 2-P-tolylethanethioic O-acid ; 2-(P-tolylthio)acetic acid, 4-Methylphenylthio acetic acid .
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