4-METHOXYBENZYL MERCAPTAN Chemical Properties

Boiling point:

90-95 °C/0.5 mmHg (lit.)

Density 

1.107 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.573(lit.)

Flash point:

>230 °F

storage temp. 

2-8°C

solubility 

Chloroform (Slightly), Methanol

form 

Liquid

pka

9.93±0.10(Predicted)

color 

Clear colorless to light yellow

Odor

at 1.00 % in propylene glycol. sulfurous slightly burnt floral balsamic anise seed

Odor Type

sulfurous

Water Solubility 

Not miscible or difficult to mix in water.

Sensitive 

Air Sensitive

BRN 

471686

InChI

1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3

InChIKey

PTDVPWWJRCOIIO-UHFFFAOYSA-N

SMILES

COc1ccc(CS)cc1

LogP

2.474 (est)

CAS DataBase Reference

6258-60-2(CAS DataBase Reference)

Safety Information

Safety Statements 

23-24/25

RIDADR 

UN 3334

WGK Germany 

3

F 

10-13

HS Code 

29309099

Storage Class

10 - Combustible liquids

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-METHOXYBENZYL MERCAPTAN Usage And Synthesis

Chemical Properties

Light Yellow Oil

Uses

4-Methoxybenzyl mercaptan is used to synthesize many ω-mercapto amino acids with side-chain lengths ranging from 3-5 methylene units. It is used as an internal standard in the Quantitative determination of wine polyfunctional mercaptans at the level of nanogram per liter.

Synthesis

A mixture of triphenylphosphine (5 mmol) and menthol (5 mmol) in acetone (15 mL) was cooled to -10??C. With stirring at -10??C, a small portion of NBS (5 mmol) was added to this cooled mixture. After complete addition of NBS, the temperature was allowed to rise to room temperature and polymer-loaded thiolated resin (6 g, 6 mmol) was added to the reaction mixture. It was then stirred for 10 min. After completion of the reaction (TLC), the resin was filtered and washed with acetone (3 x 10 mL). The solvent was removed under vacuum to obtain menthol thiol which was further purified by column chromatography. The title compound 4-methoxybenzyl mercaptan was obtained in 94% yield.

4-METHOXYBENZYL MERCAPTAN(6258-60-2)Related Product Information

• 4-METHOXYBENZYL MERCAPTAN
• Boc-S-4-methoxybenzyl-D-cysteine
• N-Fmoc-S-(4-methoxybenzyl)-L-cysteine
• 2-[4-(4,5-DIHYDRO-1,3-THIAZOL-2-YL)PHENOXY]ACETONITRILE
• 2-[4-(1,3-DITHIOLAN-2-YL)PHENOXY]ACETAMIDOXIME
• BOC-PEN(MOB)-OH
• Diltiazem hydrochloride
• 2-Amino-3-[(4-methoxybenzyl)thio]propanoic acid
• BOC-CYS(4-MEOBZL)-OH
• Benzyl mercaptan
• sodium alpha-hydroxy-p-methoxytoluene-alpha-sulphonate
• BOC-BETA,BETA-DIMETHYL-D-CYS(MOB)-OH
• 4-(TRIFLUOROMETHOXY)BENZYL MERCAPTAN
• BOC-S-(4-METHOXYBENZYL)-L-CYSTEINE DICYCLOHEXYLAMINE SALT
• Z-CYS(PMEOBZL)-OH
• 2-[4-(1,3-DITHIAN-2-YL)PHENOXY]THIOACETAMIDE
• 2-CYANO-3-MERCAPTO-3-[(4-METHOXYBENZYL)THIO]ACRYLAMIDE
• 2-BROMO-4-(1,3-DITHIOLAN-2-YL)-6-METHOXYPHENYL 2-CHLORONICOTINATE