624-22-6

Basic information

• Product Name: 2-METHYL-1-HEXANOL
• Synonyms: 2-METHYL-1-HEXANOL;2-methyl-1-hexano;2-methyl-hexan-1-ol;2-Methylhexanol;2-METHYL-1-HEXANOL2-METHYL-1-HEXANOL
• CAS NO: 624-22-6
• Molecular Formula: C7H16O
• Molecular Weight: 116.2
• EINECS: 210-837-5
• Mol File: 624-22-6.mol
• Article Data: 63

Chemical Properties

• Melting Point: -30.45°C (estimate)
• Boiling Point: 168-169℃ (754 Torr)
• Flash Point: 61.8±6.5℃
• Appearance: /
• Density: 0.818±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.792mmHg at 25°C
• Refractive Index: 1.429 (589.3 nm 20℃)
• Storage Temp.: 2-8°C
• PKA: 15.05±0.10(Predicted)
• CAS DataBase Reference: 2-METHYL-1-HEXANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-1-HEXANOL(624-22-6)
• EPA Substance Registry System: 2-METHYL-1-HEXANOL(624-22-6)

Safety Data

• Hazardous Substances Data: 624-22-6(Hazardous Substances Data)

Usage

General Description

2-Methyl-1-Hexanol is a chemical compound that belongs to the class of organic compounds known as fatty alcohols, a group distinguished by the presence of one or more hydroxyl groups attached to a long aliphatic chain. 2-METHYL-1-HEXANOL is characterized by a branched, seven-carbon structure with the molecular formula C7H16O. In its pure form, it's a colorless liquid that has a sweet, floral, and tropical fruit-like odor. This substance is sparingly soluble in water and is typically used as a solvent or as a raw material in the synthesis of other chemical products. Commercially, it has several applications in the production of flavors and fragrances. However, exposure to 2-Methyl-1-Hexanol may cause irritation to the skin, eyes, and respiratory tract.

InChI:InChI=1/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3

Upstream product

• 71-23-8 propan-1-ol 
• 71-36-3 butan-1-ol 
• 592-41-6 1-hexene 
• 201230-82-2 carbon monoxide 
• 133-08-4 diethyl butylmalonate 
• 32400-29-6 ethyl 2-methylhexanoate 
• 109-72-8 n-butyllithium 
• 2177-81-3 methyl 2-methylcaproate 
• 67-56-1 methanol 
• 111-27-3 hexan-1-ol 
• 75-24-1 trimethylaluminum 
• 4536-23-6 2-methylhexanoic acid 
• 64299-58-7 (E)-2-methyl-2-hexenal 
• 41692-46-0 ethyl 2-methylhexanoate 

Downstream Products

• 6094-02-6 2-methyl-1-hexene 
• 55504-72-8 (2-Methyl-hexyloxysulfonyl)-phenyl-acetic acid 
• 101258-57-5 1-bromo-2-methylhexane 
• 38514-03-3 4-methyloctan-1-ol 
• 54947-74-9 rac-4-methyloctanoic acid 
• 53696-14-3 6-methyldecanoic acid 
• 1337552-69-8 C₄₂H₈₀O₅Si₃ 
• 1337552-79-0 C₄₂H₈₂O₅Si₃ 
• 1337552-81-4 C₃₆H₆₈O₅Si₂ 
• 1337552-82-5 C₃₆H₇₀O₅Si₂ 
• 1337552-55-2 C₃₉H₇₄O₅Si₂ 
• 66050-82-6 (2R)-methylhexyl (S)-α-methoxy-α-trifluoromethylphenylacetate 

Relevant articles and documents

Carbon monoxide and hydrogen (syngas) as a C1-building block for selective catalytic methylation

A catalytic reaction using syngas (CO/H2) as feedstock for the selective β-methylation of alcohols was developed whereby carbon monoxide acts as a C1 source and hydrogen gas as a reducing agent. The overall transformation occurs through an intricate network of metal-catalyzed and base-mediated reactions. The molecular complex [Mn(CO)2Br[HN(C2H4PiPr2)2]]1comprising earth-abundant manganese acts as the metal component in the catalytic system enabling the generation of formaldehyde from syngas in a synthetically useful reaction. This new syngas conversion opens pathways to install methyl branches at sp3carbon centers utilizing renewable feedstocks and energy for the synthesis of biologically active compounds, fine chemicals, and advanced biofuels.

Iridium-Catalyzed Domino Hydroformylation/Hydrogenation of Olefins to Alcohols: Synergy of Two Ligands

A novel one-pot iridium-catalyzed domino hydroxymethylation of olefins, which relies on using two different ligands at the same time, is reported. DFT computation reveals different activities for the individual hydroformylation and hydrogenation steps in the presence of mono- and bidentate ligands. Whereas bidentate ligands have higher hydrogenation activity, monodentate ligands show higher hydroformylation activity. Accordingly, a catalyst system is introduced that uses dual ligands in the whole domino process. Control experiments show that the overall selectivity is kinetically controlled. Both computation and experiment explain the function of the two optimized ligands during the domino process.

Acid-Promoted Hydroformylative Synthesis of Alcohol with Carbon Dioxide by Heterobimetallic Ruthenium-Cobalt Catalytic System

The acid-aided heterobimetallic ruthenium-cobalt catalytic system for the reductive hydroformylation with carbon dioxide was established. Various alkenes, including waste from biomass and petroleum industry, could be upgraded to valuable alcohols with this protocol. Acid-promoted reverse water-gas shift (RWGS), thereby accelerating the hydroformylative synthesis of alcohol. The theoretical computations revealed that acid promoted RWGS by facilitating the dehydroxylation of ruthenium hydroxy carbonyl intermediate.