818-49-5

Basic information

• Product Name: 4-METHYL-1-HEXANOL
• Synonyms: 4-METHYL-1-HEXANOL;(±)-4-methyl-hexan-1-ol;4-methyl-hexan-1-ol;4-Methylhexanol;4-methylhexanol,4-methyl-1-hexanol
• CAS NO: 818-49-5
• Molecular Formula: C₇H₁₆O
• Molecular Weight: 116.2
• Mol File: 818-49-5.mol
• Article Data: 9

Chemical Properties

• Melting Point: -30.45°C (estimate)
• Boiling Point: 173°C
• Flash Point: 61.8°C
• Appearance: /
• Density: 0.8200
• Vapor Pressure: 0.407mmHg at 25°C
• Refractive Index: 1.4230
• PKA: 15.20±0.10(Predicted)
• CAS DataBase Reference: 4-METHYL-1-HEXANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-1-HEXANOL(818-49-5)
• EPA Substance Registry System: 4-METHYL-1-HEXANOL(818-49-5)

Safety Data

• Hazardous Substances Data: 818-49-5(Hazardous Substances Data)

Usage

General Description

4-Methyl-1-hexanol is a chemical compound with the molecular formula C7H16O. It is a colorless liquid that is used as a solvent and in the production of various industrial and consumer products. It is commonly found in cleaning products, perfumes, and personal care items. 4-Methyl-1-hexanol is also used in the manufacturing of flavors and fragrances. It has a strong, sweet odor and is flammable, so it should be handled and stored with care. Additionally, it is important to note that 4-Methyl-1-hexanol can be harmful if ingested, inhaled, or comes into contact with skin or eyes, and precautions should be taken to avoid exposure.

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

Upstream product

• 75-21-8 oxirane 
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• 872-77-5 3-cyclopropylbut-2-enal 
• 17844-23-4 4-methylene-hex-5-en-1-ol 
• 1561-11-1 4-methylhexanoic acid 
• 795-80-2 (+/-)-3-Butoxy-3-cyclopropyl-butyraldehyd-dibutylacetal 
• 765-89-9 3-cyclopropyl-but-2-en-1-ol 
• 820-91-7 6-acetoxy-3-methyl-hexa-1,3-diene 
• 818-47-3 1-bromo-4-methylhexa-3,5-diene 
• 136087-45-1 (+)-(3R,5E)-1,5-heptadien-3-ol 
• 68235-57-4 4-methyl-hex-5-enal 
• 589-34-4 3-methyl-hexane 

Downstream Products

• 53353-01-8 1-bromo-4-methylhexane 
• 91367-59-8 acetic acid-(4-methyl-hexyl ester) 
• 80403-81-2 methyl (Z)-2,6-dimethyloct-2-enoate 
• 80403-76-5 methyl (E)-2,6-dimethyloct-2-enoate 
• 1189-54-4 4-methyl-hexanoic acid amide 
• 3769-23-1 4-methylhex-1-ene 
• 137944-25-3 (3aR,7aR)-1,3-Dimethyl-2-(4-methyl-hexyloxy)-octahydro-benzo[1,3,2]diazaphosphole 2-sulfide 
• 679431-81-3 2-(4-methylhexyl)cyclohexanone 
• 137944-24-2 (3aR,7aR)-1,3-Dimethyl-2-(4-methyl-hexyloxy)-octahydro-benzo[1,3,2]diazaphosphole 

Relevant articles and documents

Highly antiproliferative neutral Ru(ii)-arene phosphine complexes

Six ruthenium(ii)- and four gold(i)-phosphine based complexes were synthesized and fully characterized. Some of them displayed strong antiproliferative properties for several types of cancer including colon, breast, and lung. Notably, two of the Ru(ii) complexes displayed an IC50 of around 2 μM, which is exceptional for these types of complexes. The dramatic impact of the nature of the arene coordinated on the ruthenium center was clearly evidenced.

Volatile methyl esters of medium chain length from the bacterium Chitinophaga Fx7914

The analysis of the volatiles released by the novel bacterial isolate Chitinophaga Fx7914 revealed the presence of ca. 200 compounds including different methyl esters. These esters comprise monomethyl- and dimethyl-branched, saturated, and unsaturated fatty acid methyl esters that have not been described as bacterial volatiles before. More than 30 esters of medium C-chain length were identified, which belong to five main classes, methyl (S)-2-methylalkanoates (class A), methyl (S)-2,(ω-1)-dimethylalkanoates (class B), methyl 2,(ω-2)-dimethylalkanoates (class C), methyl (E)-2-methylalk-2-enoates (class D), and methyl (E)-2,(ω-1)-dimethylalk-2- enoates (class E). The structures of the compounds were verified by GC/MS analysis and synthesis of the target compounds as methyl (S)-2-methyloctanoate (28), methyl (S)-2,7-dimethyloctanoate ((S)-43), methyl 2,6-dimethyloctanoate (49), methyl (E)-2-methylnon-2-enoate (20a), and methyl (E)-2,7-dimethyloct-2- enoate (41a). Furthermore, the natural saturated 2-methyl-branched methyl esters showed (S)-configuration as confirmed by GC/MS experiments using chiral phases. Additionally, the biosynthetic pathway leading to the methyl esters was investigated by feeding experiments with labeled precursors. The Me group at C(2) is introduced by propanoate incorporation, while the methyl ester is formed from the respective carboxylic acid by a methyltransferase using S-adenosylmethionine (SAM).

Alkane oxygenation with H2O2 catalysed by FeCl 3 and 2,2′-bipyridine

The H2O2-FeCl3-bipy system in acetonitrile efficiently oxidises alkanes predominantly to alkyl hydroperoxides. Turnover numbers attain 400 after 1 h at 60°C. It has been assumed that bipy facilitates proton abstraction from a H2O2 molecule coordinated to the iron ion (these reactions are stages in the catalytic cycle generating hydroxyl radicals from the hydrogen peroxide). Hydroxyl radicals then attack alkane molecules finally yielding the alkyl hydroperoxide.