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

• 41692-47-1 ethyl 3-methylhexanoate 
• 71-23-8 propan-1-ol 
• 71-36-3 butan-1-ol 
• 592-41-6 1-hexene 
• 201230-82-2 carbon monoxide 
• 67-56-1 methanol 
• 111-27-3 hexan-1-ol 
• 75-24-1 trimethylaluminum 
• 617-86-7 triethylsilane 
• 775-12-2 diphenylsilane 
• 91177-72-9 (2S,3R)-heptane-2,3-diol 
• 946409-00-3 C₂₃H₃₄SiO₂ 
• 141022-82-4 (S)-(+)-4-isopropyl-3-hexanoyl-2-oxazolidinone 
• 143965-32-6 (4S)-3-hexanoyl-4-(phenylmethyl)-1,3-oxazolidin-2-one 

Downstream Products

• 6094-02-6 2-methyl-1-hexene 
• 55504-72-8 (2-Methyl-hexyloxysulfonyl)-phenyl-acetic acid 
• 66050-82-6 (2R)-methylhexyl (S)-α-methoxy-α-trifluoromethylphenylacetate 
• 328547-76-8 (5S,7RS,9S)-5,9-dimethyl-7-(phenylsulfonyl)pentadecane 
• 328547-80-4 (5S,7RS,9R)-5,9-dimethyl-7-(phenylsulfonyl)pentadecane 
• 99833-15-5 (S)-2-methylhexyl 4-methylbenzenesulfonate 
• 1353578-22-9 C₃₃H₂₄F₁₂O 
• 17001-24-0 12-methylhexadecanoic acid 
• 51703-97-0 (R)-(-)-2-methylhexanoic acid 
• 53696-14-3 6-methyldecanoic acid 
• 54947-74-9 rac-4-methyloctanoic acid 

Relevant articles and documents

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.

Highly efficient NHC-iridium-catalyzed β-methylation of alcohols with methanol at low catalyst loadings

The methylation of alcohols is of great importance since a broad number of bioactive and pharmaceutical alcohols contain methyl groups. Here, a highly efficient β-methylation of primary and secondary alcohols with methanol has been achieved by using bis-N-heterocyclic carbene iridium (bis-NHC-Ir) complexes. Broad substrate scope and up to quantitative yields were achieved at low catalyst loadings with only hydrogen and water as by-products. The protocol was readily extended to the β-alkylation of alcohols with several primary alcohols. Control experiments, along with DFT calculations and crystallographic studies, revealed that the ligand effect is critical to their excellent catalytic performance, shedding light on more challenging Guerbet reactions with simple alcohols. [Figure not available: see fulltext.].

HYDROGENATION OF CARBONYLS WITH TETRADENTATE PNNP LIGAND RUTHENIUM COMPLEXES

The present invention relates to catalytic hydrogenation processes, using Ru complexes with tetradentate ligands of formula L in hydrogenation processes for the reduction of ketone, aldehyde, ester or lactone into the corresponding alcohol or diol respectively. The described processes use a ruthenium complex of the formula (1) as defined below, and where the ligand (L) is defined by the Markush formula shown above.