6262-87-9

Basic information

• Product Name: 2-(1-Methylethyl)thiophenol
• Synonyms: 2-ISO-PROPYLTHIOPHENOL;2-ISOPROPYLBENZENETHIOL,TECH.,90%;2-IsopropylbenzenethiolTech;2-propan-2-ylbenzenethiol;2-Isopropylbenzenethiol,2-Isopropylthiophenol;2-(1-Methylethyl)thi;Benzenethiol, 2-(1-Methylethyl)-;2-Isopropylbenzenethiol technical grade, 90%
• CAS NO: 6262-87-9
• Molecular Formula: C₉H₁₂S
• Molecular Weight: 152.26
• Product Categories: Phenol&Thiophenol&Mercaptan
• Mol File: 6262-87-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 220 °C(lit.)
• Flash Point: 187 °F
• Appearance: Colorless to light yellow liquid
• Density: 1.005 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.171mmHg at 25°C
• Refractive Index: n20/D 1.5579(lit.)
• PKA: 6.79±0.43(Predicted)
• CAS DataBase Reference: 2-(1-Methylethyl)thiophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1-Methylethyl)thiophenol(6262-87-9)
• EPA Substance Registry System: 2-(1-Methylethyl)thiophenol(6262-87-9)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 6262-87-9(Hazardous Substances Data)

Usage

Description

2-(1-Methylethyl)thiophenol, an organic compound with the chemical formula C8H10S, is a colorless to pale yellow liquid characterized by a pungent odor reminiscent of garlic. 2-(1-Methylethyl)thiophenol is known for its strong aromatic properties, which make it a versatile ingredient in various applications.

Uses

Used in Flavoring Agents:
2-(1-Methylethyl)thiophenol is used as a flavoring agent in the food industry for its ability to impart savory and meaty flavors. It is particularly favored in the production of soups, sauces, and meat products, where it enhances the taste and overall sensory experience of the food.
Used in Pharmaceutical and Agrochemical Synthesis:
Beyond its culinary applications, 2-(1-Methylethyl)thiophenol is also utilized in the synthesis of various pharmaceuticals and agrochemicals. Its strong aromatic properties make it a valuable component in the creation of these products, contributing to their efficacy and performance.
Used in the Food Industry:
2-(1-Methylethyl)thiophenol is used as a flavor enhancer for [improving the taste and sensory experience of food products], particularly in the production of savory and meaty flavors in soups, sauces, and meat products.
Used in the Pharmaceutical and Agrochemical Industries:
2-(1-Methylethyl)thiophenol is used as a key component in the synthesis of [various pharmaceuticals and agrochemicals] for its strong aromatic properties, which contribute to the efficacy and performance of these products.

InChI:InChI=1/C9H12S/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3

Upstream product

• 187737-37-7 propene 
• 108-98-5 thiophenol 
• 7647-01-0 hydrogenchloride 
• 899789-69-6 (cobalt)2[N(4-MeC₆H₃-2-P(CHMe₂)2)2]2 
• 874-79-3 phenyl(propyl)sulfide 
• 98-82-8 Isopropylbenzene 

Downstream Products

• 98-82-8 Isopropylbenzene 
• 17874-38-3 3-(2-isopropylphenylthio)propanoic acid 
• 21557-60-8 [2,5-Dichloro-4-(2-isopropyl-phenylsulfanylthiocarbonylamino)-phenyl]-dithiocarbamic acid 2-isopropyl-phenyl ester 
• 26065-82-7 Cyclopropancarbonsaeure-2'-isopropylphenylthioester 
• 140886-25-5 (5R,6R)-5-(2-Isopropyl-phenylsulfanyl)-6-methoxy-dihydro-pyran-3-one 
• 1026153-77-4 C₂₈H₃₃N₃O₈S 
• 105126-87-2 1-(2,2-Diethoxy-ethylsulfanyl)-2-isopropyl-benzene 
• 2976-66-1 1-isopropyl-2-methylsulfanyl-benzene 
• 73059-75-3 allyl 2-isopropylbenzene sulfide 
• 170916-59-3 diethyl 2-<(2-isopropylphenyl)thio>propane-1,3-dioate 
• 22987-32-2 1,2-bis(2-isopropylphenyl)disulfane 
• 286377-50-2 5-(2-isopropyl-phenylsulfanyl)-3-methoxy-6-nitro-benzofuran 
• 92399-45-6 3-isopropylthiosalicylic acid 
• 280749-17-9 (2-iso-propylphenyl)[2-nitro-4-(E-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide 

Relevant articles and documents

Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation

This report discloses a combined experimental and computational study aimed at understanding C-S reductive elimination from Co(iii) supported by a diarylamido/bis(phosphine) PNP pincer ligand. Divalent (PNP)Co-aryl complexes could be easily oxidized to five-coordinate Co(iii) derivatives, and anion metathesis provided five-coordinate (PNP)Co(Ar)(SAr′) complexes of Co(iii). In contrast to their previously described (POCOP)Co(Ar)(SAr′) analogs, but similarly to the (PNP)Rh(Ar)(SAr′) and (POCOP)Rh(Ar)(SAr′) analogs, (PNP)Co(Ar)(SAr′) undergo C-S reductive elimination with the formation of the desired diarylsulfide product ArSAr′. DFT studies and experimental observations are consistent with a concerted process. However, in contrast to the Rh analogs, the immediate product of such reductive elimination, the unobserved Co(i) complex (PNP)Co, un-dergoes rapid comproportionation with the (PNP)Co(Ar)(SAr′) starting material to give Co(ii) compounds (PNP)Co-Ar and (PNP)Co-SAr′.