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Name	4-Methylthiophenylacetic acid	EINECS	N/A
CAS No.	16188-55-9	Density	1.16g/cm³
PSA	62.60000	LogP	2.03560
Solubility	N/A	Melting Point	97-98 ºC
Formula	C9H10 O2 S	Boiling Point	274.2°Cat760mmHg
Molecular Weight	182.243	Flash Point	125.4°C
Transport Information	N/A	Appearance	Cream crystalline powder
Safety	S26;S36	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols
Synonyms	Acetic acid,[p-(methylthio)phenyl]- (6CI,7CI,8CI); (4-Methylsulfanylphenyl)acetic acid;2-[4-(Methylthio)phenyl]acetic acid; 4-(Methylthio)phenylacetic acid;[p-(Methylthio)phenyl]acetic acid	Article Data	12

4-Methylthiophenylacetic acid Synthetic route

: 53066-99-2
2-(4-(methylthio)phenyl)-2-oxoacetic acid

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
Stage #1: 2-(4-(methylthio)phenyl)-2-oxoacetic acid With sodium iodide In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: With chloro-trimethyl-silane In dichloromethane at 20℃; for 2h; Inert atmosphere; regioselective reaction;	91%
Stage #1: 2-(4-(methylthio)phenyl)-2-oxoacetic acid With sodium hydroxide; hydrazine In water at 75℃; for 120h; Wolff-Kishner Reduction; Heating / reflux; Stage #2: With hydrogenchloride In water pH=1.5;

: 38746-92-8
2-[4-(methylsulfanyl)phenyl]acetonitrile

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
Stage #1: 2-[4-(methylsulfanyl)phenyl]acetonitrile With potassium hydroxide; water for 8h; Reflux; Stage #2: With hydrogenchloride; water at 20℃;	82%
With sodium hydroxide In ethylene glycol; ethyl acetate
With sulfuric acid; water for 1h; Reflux;

: 1878-66-6
4-chlorophenylacetic Acid

: 5188-07-8
sodium thiomethoxide

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
With copper(I) bromide In N,N-dimethyl-formamide at 130℃; for 24h; Inert atmosphere;	79.3%

: 5188-07-8
sodium thiomethoxide

: 1878-68-8
2-(4-bromophenyl)-acetic acid

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
With copper(I) bromide In N,N-dimethyl-formamide at 130℃; Inert atmosphere;	76.1%

: 1778-09-2
4-(Methylthio)acetophenone

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
With morpholine; sulfur for 20h; Heating;	53%
Stage #1: 4-(Methylthio)acetophenone With morpholine; sulfur at 130℃; for 48h; Willgerodt reaction; Stage #2: With sodium hydroxide; water at 130℃; for 24h; Stage #3: With hydrogenchloride In water

: 1798-06-7
(4-iodophenyl)acetic acid

: 4856-13-7
cuprous methylmercaptide

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
With quinoline at 200℃;

: 110-91-8
morpholine

: 1778-09-2
4-(Methylthio)acetophenone

sulfur: sulfur

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
Erhitzen des Reaktionsgemisches mit wss. HCl;

1-<4-methylsulfanyl-phenyl>-ethanone-(1): 1-<4-methylsulfanyl-phenyl>-ethanone-(1)

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
With morpholine; sulfur Erhitzen des Reaktionsgemisches mit wss. Salzsaeure;

: 100-68-5
methyl-phenyl-thioether

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / AlCl3 / CHCl3 / 0 - 5 °C 2: 53 percent / S8, Morpholin / 20 h / Heating View Scheme

: 67-56-1
methanol

: 16188-55-9
2-(4-(methylthio)phenyl)acetic acid

: 70290-37-8
(4-methylsulfanyl-phenyl)-acetic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid at 50℃; for 16h;	100%
With thionyl chloride at 0 - 20℃; for 48h;	100%
With sulfuric acid for 19h; Heating / reflux;	98%
With sulfuric acid In benzene at 0 - 80℃; for 16h; Inert atmosphere;	83.1%
With hydrogenchloride

4-Methylthiophenylacetic acid Chemical Properties

Molecular Formula: C₉H₁₀O₂S
Molecular Weight: 182.24 g/mol
Canonical SMILES: O=C(O)Cc1ccc(SC)cc1
InChI: InChI=1/C9H10O2S/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
Mol File: 16188-55-9.mol
Product Categories: C9;Carbonyl Compounds; Carboxylic Acids
Nominal Mass: 182
Average Mass: 182.2395
Monoisotopic Mass: 182.04015
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 51.6
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: 157.9 °C
Enthalpy of Vaporization: 61.29 kJ/mol
Boiling Point: 337.4 °C at 760 mmHg
Melting Point: 97-98 °C(lit.)
Vapour Pressure of 4-Methylthiophenylacetic acid (CAS NO.16188-55-9): 4.1E-05 mmHg at 25 °C

4-Methylthiophenylacetic acid Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany of 4-Methylthiophenylacetic acid (CAS NO.16188-55-9): 3

4-Methylthiophenylacetic acid Specification

4-Methylthiophenylacetic acid (CAS NO.16188-55-9), its synonyms are (4-Methylsulfanyl-phenyl)-cetic acid ; 2-(4-(methylthio)phenyl)acetic acid ; 4-(Methylthio)benzeneacetic acid ; 4-(Methylthio)phenylacetic acid,98% . It is a cream crystalline powder.

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