Diisobutylcarbinol Property

Melting point:

-65.15°C

Boiling point:

178 °C(lit.)

Density 

0.809 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.423(lit.)

FEMA 

3140 | 2,6-DIMETHYL-4-HEPTANOL

Flash point:

158 °F

pka

15.31±0.20(Predicted)

form 

clear liquid

color 

Colorless to Almost colorless

Odor

Characteristic.

Odor Type

ethereal

Water Solubility 

insoluble

JECFA Number

303

LogP

3.08

CAS DataBase Reference

108-82-7(CAS DataBase Reference)

NIST Chemistry Reference

4-Heptanol, 2,6-dimethyl-(108-82-7)

EPA Substance Registry System

4-Heptanol, 2,6-dimethyl- (108-82-7)

Safety

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 Data

108-82-7(Hazardous Substances Data)

Toxicity

mouse,LD50,oral,3530mg/kg (3530mg/kg),Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H227Combustible liquid

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

Diisobutylcarbinol Chemical Properties,Usage,Production

Chemical Properties

clear liquid

Occurrence

Reported found in cognac, white wine and red wine.

Uses

2,6-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.

Uses

Diisobutylcarbinol is used as a fragrance ingredient.

Definition

ChEBI: Diisobutylcarbinol is a secondary alcohol.

Preparation

By catalytic hydrogenation of diisobutyl ketone

Aroma threshold values

Detection: 1.3 ppm

General Description

A colorless liquid. Flash point 162°F. Less dense than water and insoluble in water. Vapors heavier than air.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Diisobutylcarbinol 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 Hazard

None expected

Fire Hazard

HIGHLY 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 Reactivity

Reactivity 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 Profile

Moderately 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.