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Diisobutylcarbinol

Diisobutylcarbinol Basic information
Product Name:Diisobutylcarbinol
Synonyms:DIISOBUTYLCARBINOL;FEMA 3140;Diisobutylcarbinol,90%;4-HYDROXY-2,6-DIMETHYLHEPTANE;2,6-DIMETHYL-4-HEPTANOL;2,6-dimethyl-4-heptano;2,6-dimethylheptan-;2,6-dimethyl-heptan-4-ol
CAS:108-82-7
MF:C9H20O
MW:144.25
EINECS:203-619-6
Product Categories:Alcohols;C9 to C30;ketone Flavor;Alphabetical Listings;C-D;Flavors and Fragrances;Oxygen Compounds
Mol File:108-82-7.mol
Diisobutylcarbinol Structure
Diisobutylcarbinol Chemical Properties
Melting point -65.15°C
Boiling point 178 °C(lit.)
density 0.809 g/mL at 25 °C(lit.)
FEMA 3140 | 2,6-DIMETHYL-4-HEPTANOL
refractive index n20/D 1.423(lit.)
Fp 158 °F
pka15.31±0.20(Predicted)
form clear liquid
color Colorless to Almost colorless
OdorCharacteristic.
Odor Typeethereal
Water Solubility insoluble
JECFA Number303
LogP3.08
CAS DataBase Reference108-82-7(CAS DataBase Reference)
NIST Chemistry Reference4-Heptanol, 2,6-dimethyl-(108-82-7)
EPA Substance Registry System4-Heptanol, 2,6-dimethyl- (108-82-7)
Safety Information
Risk Statements 36/37/38
Safety Statements 26-36/37/39-24/25
RIDADR NA 1993 / PGIII
WGK Germany 2
RTECS MJ3325000
HS Code 2905190098
Hazardous Substances Data108-82-7(Hazardous Substances Data)
Toxicitymouse,LD50,oral,3530mg/kg (3530mg/kg),Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.
MSDS Information
ProviderLanguage
Diisobutylcarbinol English
SigmaAldrich English
ACROS English
Diisobutylcarbinol Usage And Synthesis
Chemical Propertiesclear liquid
OccurrenceReported found in cognac, white wine and red wine.
UsesDiisobutylcarbinol is used as a fragrance ingredient.
Uses2,6-Dimethyl-4-heptanol may be used in the preparation of the protected β-hydroxybutyrates. It may also be used as a hydrogen donor during the dynamic kinetic resolution (DKR) of various diols, monoprotected diols and the protected hydroxy aldehydes.
DefinitionChEBI: Diisobutylcarbinol is a secondary alcohol.
PreparationBy catalytic hydrogenation of diisobutyl ketone
Aroma threshold valuesDetection: 1.3 ppm
General DescriptionA colorless liquid. Flash point 162°F. Less dense than water and insoluble in water. Vapors heavier than air.
Air & Water ReactionsInsoluble in water.
Reactivity ProfileDiisobutylcarbinol is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Health HazardNone expected
Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Chemical ReactivityReactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Safety ProfileModerately toxic by ingestion and intraperitoneal routes. Mddly toxic by skin contact. A powerful systemic irritant by inhalation. A skin and eye irritant. Can cause central nervous system and liver damage when ingested. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes.
Diisobutylcarbinol Preparation Products And Raw materials
Preparation Products2,6-DIMETHYL-3-HEPTENE
Dacthal DL-Menthol Diisobutylcarbinol ISOBUTYLTRICHLOROSILANE 4,6-dimethyl-2-heptanol (2R,4R)-2,4-Dimethyl-1-heptanol,[2R,4R,(+)]-2,4-Dimethyl-1-heptanol [S,(-)]-3-Ethyl-5,6-dimethyl-3-heptanol (-)-MENTHOXYACETIC ACID 11-BETA-HYDROXYANDROSTERONE L-MENTHYL ACETATE 3,5-DIMETHYL-3-HEPTANOL,3,5-DIMETHYL-4-HEPTANOL [R,(-)]-2,5-Dimethyl-2-heptanol APOCHOLIC ACID 3,3,5,5-TETRAMETHYLCYCLOHEXANOL 4,6-dimethyl-1-heptanol [S,(+)]-4-Isobutyl-2,5-dimethyl-4-heptanol [2S,4R,(-)]-2,4-Dimethyl-1-heptanol 4-ETHYNYL-2,6-DIMETHYL-4-HEPTANOL
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