Product Name

  • Name

    4-METHYL PHENYL THIOACETIC ACID

  • EINECS
  • CAS No. 3996-29-0
  • Article Data34
  • CAS DataBase
  • Density 1.23g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety
    Hazard Codes Xi
    WGK Germany 3
    Hazard Note Irritant
  • Risk Codes
  • Molecular Structure Molecular Structure of 3996-29-0 (4-METHYL PHENYL THIOACETIC ACID)
  • Hazard Symbols
  • 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
  • PSA 62.60000
  • LogP 2.17170

4-Methylphenylthioacetic acid Chemical Properties

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: IrritantXi
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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