19550-07-3

Basic information

• Product Name: 2,5-DIMETHYL-3-HEXANOL
• Synonyms: ISOBUTYL ISOPROPYL CARBINOL;2,5-DIMETHYL-3-HEXANOL;2,5-dimethylhexan-3-ol;2,5-Dimethylhexane-3-ol
• CAS NO: 19550-07-3
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23
• EINECS: 243-152-5
• Mol File: 19550-07-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: -61.15°C (estimate)
• Boiling Point: 65 °C / 15mmHg
• Flash Point: 59.2°C
• Appearance: /
• Density: 0,82 g/cm3
• Vapor Pressure: 0.983mmHg at 25°C
• Refractive Index: 1.4220-1.4250
• PKA: 15.17±0.20(Predicted)
• CAS DataBase Reference: 2,5-DIMETHYL-3-HEXANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-3-HEXANOL(19550-07-3)
• EPA Substance Registry System: 2,5-DIMETHYL-3-HEXANOL(19550-07-3)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 1987
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 19550-07-3(Hazardous Substances Data)

Usage

General Description

2,5-Dimethyl-3-hexanol is a chemical compound utilized extensively within the chemical industry. Presented as a clear, colorless liquid, it is characterized by its strong, sweet, and floral aroma, significantly used in the production of perfume and food flavoring. Apart from fragrance applications, it also serves as a solvent and acts as an intermediate within chemical reactions to manufacture various products. Like other organic compounds, it is suggested to handle this chemical with care as it might cause skin, eye, or respiratory irritation upon exposure. The chemical formula for 2,5-Dimethyl-3-hexanol is C8H18O.

InChI:InChI=1/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3/t8-/m1/s1

Upstream product

• 926-62-5 isobutylmagnesium bromide 
• 78-84-2 isobutyraldehyde 
• 920-39-8 isopropylmagnesium bromide 
• 108-12-3 isopentanoyl chloride 
• 590-86-3 isovaleraldehyde 
• 692-70-6 (E)-2,5-dimethylhex-3-ene 
• 10557-44-5 cis-2,5-Dimethyl-3-hexen 
• 60703-31-3 2,5-dimethyl-2-hexen-4-ol 
• 54644-32-5 trans-2,5-dimethyl-3-hexene epoxide 
• 59175-38-1 cis-2,5-dimethyl-3-hexene epoxide 
• 108-64-5 Ethyl isovalerate 
• 60-29-7 diethyl ether 

Downstream Products

• 1888-57-9 2,5-dimethylhexan-3-one 

Relevant articles and documents

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Kinetic resolution of racemic allylic alcoholsviairidium-catalyzed asymmetric hydrogenation: scope, synthetic applications and insight into the origin of selectivity

Asymmetric hydrogenation is one of the most commonly used tools in organic synthesis, whereas, kinetic resolutionviaasymmetric hydrogenation is less developed. Herein, we describe the first iridium catalyzed kinetic resolution of a wide range of trisubstituted secondary and tertiary allylic alcohols. Large selectivity factors were observed in most cases (sup to 211), providing the unreacted starting materials in good yield with high levels of enantiopurity (ee up to >99%). The utility of this method is highlighted in the enantioselective formal synthesis of some bioactive natural products including pumiliotoxin A, inthomycin A and B. DFT studies and a selectivity model concerning the origin of selectivity are presented.

213. The reductive Conversion of Some Cyclic and Acyclic vic-Epoxides to Alcohols by Means of Lithium Aluminium Hydride/Aluminium Trichloride

Unsubstituted medium-ring 1,2-epoxycycloalkanes and certain vic-epoxyalkanes are reduced to the corresponding alcohols very slowly when LiAlH4 alone is used as reducing agent.However, the combination of LiAlH4 and AlCl3, in a 2:1 molar ratio (with respect to 1 mol-equiv. of epoxide) used in refluxing Et2O, greatly enhances these reductions, rendering them of interest for practical purposes.